data_2csz_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 2csz _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.419 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -130.56 141.18 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.2 t -41.68 159.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.93 -1.29 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -119.21 -28.82 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.37 -8.77 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 50.62 49.51 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -89.63 171.15 9.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 p -80.69 96.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 51' ' ' LEU . 10.6 mt -88.21 33.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.78 -68.02 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -56.05 -44.39 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.15 169.37 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -109.38 113.29 58.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.92 19.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -58.44 -41.34 84.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 p -93.5 -25.21 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.07 39.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -104.12 124.27 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.2 t -67.72 112.24 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -57.35 -19.87 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.37 -65.23 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 p -107.56 20.66 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' CYS . 45.4 m-80 37.86 40.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -99.39 -175.54 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 35' ' ' LEU . 27.5 tp -113.18 115.64 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.02 163.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -88.82 178.17 6.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.45 13.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -115.92 -25.0 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.4 m -101.27 21.11 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.91 167.32 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.8 mp -128.95 134.07 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -73.93 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.714 0.292 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -150.43 148.61 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.89 162.82 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -72.16 154.13 41.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 31.4 mttt -44.03 -46.45 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -60.6 -31.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -86.12 -66.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.461 ' CA ' HD13 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -130.3 149.43 52.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.3 t -52.97 154.9 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.07 43.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 3.1 mmm180 -124.51 -38.66 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.38 -5.15 11.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 48.86 36.96 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.27 172.62 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -84.7 99.39 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD13 ' CA ' ' A' ' 27' ' ' THR . 9.8 mt -83.94 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.07 -80.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -52.58 -56.91 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -49.07 148.44 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 123.41 57.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.74 29.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -58.69 -71.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 t -65.32 -24.56 67.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -83.82 44.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -113.92 113.61 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASN . 22.9 t -56.44 111.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -60.2 -16.33 32.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 -63.27 2.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.97 17.02 22.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' CYS . 9.6 m120 42.47 41.74 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -103.78 172.49 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 35' ' ' LEU . 22.7 tp -102.65 115.29 30.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.29 162.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -80.49 179.24 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -82.6 10.22 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.69 -32.62 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.2 m -88.28 10.98 17.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.48 163.31 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 5.0 mp -130.18 118.79 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.83 127.27 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.3 p-90 -160.48 156.38 25.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -144.09 166.32 25.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.03 157.93 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 36.1 mttt -48.52 -44.29 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG21 ' NE ' ' A' ' 30' ' ' ARG . 43.0 t -62.1 -33.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m -81.72 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.832 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.882 0.373 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.66 146.18 50.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 14.0 t -46.24 162.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.5 -3.37 22.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 30' ' ' ARG . 1.5 mmp_? -121.52 -34.1 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 p -116.91 -7.43 11.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.458 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 29.7 mm-40 45.15 47.89 9.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -94.47 171.35 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -80.0 101.25 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 51' ' ' LEU . 7.5 mt -83.4 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.37 -80.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 24.6 ptt180 -46.28 -39.02 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 15.2 mt -71.96 171.96 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 70.7 m -114.66 121.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.42 3.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -45.38 -60.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -74.05 -24.95 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' SER . 72.2 m-20 -84.13 46.72 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 90.9 m -114.68 115.98 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 30.4 t -63.05 112.82 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -60.59 -17.33 45.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.18 -64.06 2.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.95 20.28 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' CYS . 2.6 m-80 38.36 41.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.47 -177.25 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' CD1' HD13 ' A' ' 35' ' ' LEU . 21.9 tp -112.11 112.12 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.74 144.69 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -64.47 177.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.66 12.36 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -113.58 -29.62 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -94.48 21.39 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NE ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -123.88 164.33 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.12 119.68 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.36 121.98 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 34.5 p-90 -157.01 149.42 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -133.62 165.07 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.98 161.85 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -50.67 -44.01 57.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.82 -37.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.21 -69.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.409 ' C ' HD11 ' A' ' 35' ' ' LEU . 1.5 p -130.08 149.86 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.7 t -57.87 147.57 28.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.85 10.9 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 10.0 mmt180 -131.36 -33.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -121.22 -12.5 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 54.65 47.17 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -89.6 173.35 8.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 p -88.77 96.14 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 27' ' ' THR . 8.6 mt -82.3 38.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.7 -56.76 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -67.33 -51.13 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.92 170.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -109.53 117.06 53.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.46 12.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -53.62 -49.44 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -84.03 -28.05 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -81.14 39.82 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.4 m -104.98 121.11 43.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASN . 18.9 t -65.35 112.16 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -59.78 -17.84 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -64.63 2.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -107.16 19.8 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' CYS . 14.6 m-80 39.33 43.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -104.25 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 27' ' ' THR . 25.6 tp -114.49 117.83 32.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -140.8 151.0 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 p -68.96 177.17 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -81.44 15.04 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.91 -35.28 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.35 18.86 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.475 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -123.91 168.83 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -132.75 126.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.412 ' HG3' ' NH1' ' A' ' 57' ' ' ARG . 36.6 mt-30 -79.83 99.94 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 19.9 p-90 -149.37 147.52 28.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -133.01 167.86 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 p -72.76 153.2 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 37.4 mttt -44.95 -43.01 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.81 -35.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.3 -66.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -127.03 156.03 42.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.461 ' N ' HD12 ' A' ' 35' ' ' LEU . 17.1 t -57.96 159.3 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.82 0.67 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.3 mmm180 -118.29 -37.21 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.14 -11.27 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 56.65 38.73 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -81.57 169.85 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -83.67 104.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 28' ' ' CYS . 16.0 mt -87.26 34.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.26 -57.6 17.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -42.17 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 17.8 mt -72.76 144.1 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -86.08 121.26 72.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 42' ' ' THR . 8.1 tmtt? -40.8 -56.42 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.471 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 8.1 t -75.27 -25.09 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 79.7 m-20 -87.43 47.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -111.87 116.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASN . 16.0 t -61.73 112.72 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -58.94 -19.17 40.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.29 -65.25 2.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.3 p -106.4 20.53 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.2 m120 37.94 41.26 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -103.03 177.11 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 27' ' ' THR . 25.0 tp -107.66 114.65 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.98 160.22 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -81.81 175.31 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -77.56 9.73 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -112.32 -27.57 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -97.56 16.44 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' NH2' ' OE1' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -120.18 168.34 11.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 58' ' ' ILE . 4.3 mp -133.83 128.3 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' OE1' ' NH2' ' A' ' 57' ' ' ARG . 8.9 mm100 -81.16 122.56 27.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 33.5 p-90 -157.72 145.0 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.84 163.81 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 p -71.7 158.99 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -47.07 -48.74 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.473 HG22 ' NE ' ' A' ' 30' ' ' ARG . 47.4 t -57.94 -38.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.2 m -75.69 -69.63 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.419 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.94 144.37 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -48.39 162.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.16 -4.19 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -117.69 -36.25 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.12 -7.05 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 48.38 39.02 11.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.72 172.38 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 p -83.2 101.96 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 51' ' ' LEU . 10.3 mt -87.5 34.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.79 -63.71 5.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.447 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -61.5 -44.95 96.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.93 164.89 16.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -107.4 122.52 40.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -43.34 -57.52 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -74.49 -29.68 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -83.69 46.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -111.49 115.44 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.7 t -60.26 112.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -60.05 -17.79 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.46 -64.35 2.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 p -108.3 17.98 21.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.9 m120 42.87 41.02 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -102.64 176.52 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' HD11 ' A' ' 35' ' ' LEU . 18.7 tp -106.71 113.96 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.86 150.54 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -71.64 179.24 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -81.34 11.2 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.23 -24.56 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -99.43 21.65 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.86 169.18 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.5 mp -128.31 126.08 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -78.51 103.21 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.755 0.312 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -154.28 153.96 32.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -137.95 167.84 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -71.77 158.47 36.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 6.5 mtpp -50.3 -39.72 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.89 -36.08 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.04 -67.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 37.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.961 0.41 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.99 148.2 52.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.468 ' N ' HD13 ' A' ' 35' ' ' LEU . 12.3 t -48.3 164.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.2 -0.85 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 30' ' ' ARG . 1.3 mmp_? -122.1 -32.09 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.94 -7.94 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 27.7 mm-40 50.91 44.32 28.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.81 175.03 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -89.16 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 28' ' ' CYS . 17.4 mt -86.16 28.09 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.77 -63.53 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 37' ' ' ARG . 28.2 mtm105 -68.27 -37.72 80.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.4 143.38 50.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -85.52 123.8 72.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -39.94 -66.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -63.79 -28.36 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -85.45 45.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 93.1 m -112.61 118.75 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.8 t -62.93 112.33 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -58.8 -18.25 30.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.9 2.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.14 20.38 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' CYS . 33.3 m120 39.33 41.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -101.78 171.98 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.5 tp -103.64 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.02 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.2 p -88.37 179.29 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.98 23.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -125.19 -29.17 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.19 19.29 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.534 ' NH2' ' NE2' ' A' ' 59' ' ' GLN . 12.6 ptm180 -112.49 171.11 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 58' ' ' ILE . 4.2 mp -135.14 119.33 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.534 ' NE2' ' NH2' ' A' ' 57' ' ' ARG . 17.4 mm-40 -74.21 118.41 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 26.5 p-90 -155.75 141.31 17.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 20.8 mtt180 -133.22 165.02 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.52 163.35 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -52.0 -40.7 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' NE ' ' A' ' 30' ' ' ARG . 86.9 t -63.03 -40.95 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.6 m -68.97 -69.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.936 0.398 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.94 161.33 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.73 155.11 38.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -99.41 8.75 44.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 3.4 mmm180 -128.12 -35.32 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.05 -9.78 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 54.18 41.27 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.62 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 t -90.67 98.95 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.48 44.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ARG . . . -60.61 -92.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 2.1 tpm_? -37.45 -46.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.43 -179.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 m -125.86 115.66 24.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.4 37.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -44.29 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.3 -6.09 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -94.73 46.08 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -113.98 115.42 27.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' ASN . 6.1 t -63.29 113.1 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -56.04 -23.38 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -65.15 2.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASN . 8.2 p -108.96 20.25 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' CYS . 32.2 m120 36.47 40.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.66 174.54 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ALA . 41.2 tp -100.99 118.98 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.11 160.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -82.17 174.54 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 8.52 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.77 -28.3 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.94 21.41 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.87 161.25 28.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD11 ' N ' ' A' ' 58' ' ' ILE . 4.1 mp -125.13 149.15 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -90.58 120.6 31.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.727 0.299 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 27.6 p-90 -155.96 148.67 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 37.6 mtt180 -142.29 167.93 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.19 154.37 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 15.3 mtpt -45.06 -41.56 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG2' ' NE ' ' A' ' 30' ' ' ARG . 26.2 t -63.53 -39.1 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.7 m -73.17 -70.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.799 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.23 155.56 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.0 t -58.97 161.21 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.75 0.48 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -123.31 -33.55 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 28.9 p -119.01 -9.39 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 53.72 34.72 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' CG ' ' SG ' ' A' ' 31' ' ' CYS . 11.4 mm-40 -72.75 167.81 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -84.92 98.34 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.14 33.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.95 -69.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 1.3 tmt_? -61.6 -47.54 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 46.0 mt -55.13 178.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -145.7 138.55 13.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.3 35.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -37.8 -66.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -100.1 -13.3 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 17.8 m-20 -82.24 40.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.2 m -115.17 119.71 37.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 8.8 t -67.24 112.95 4.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -60.25 -19.93 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.71 -62.5 4.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.0 p -109.66 13.05 23.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.7 m120 46.6 43.36 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.86 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.29 116.67 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.47 163.8 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.74 177.07 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -82.63 15.7 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.46 -35.64 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' LYS . 61.5 m -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.567 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 8.8 ptm180 -87.16 155.88 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.73 128.49 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' NE2' HH22 ' A' ' 57' ' ' ARG . 8.4 mm-40 -74.85 114.69 13.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 35.6 p-90 -152.53 149.92 29.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 14.6 mtt85 -140.0 166.2 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -73.33 163.94 27.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' CYS . 18.3 mmtp -42.87 -53.14 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.53 -58.49 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 11.4 m -54.38 -64.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' CYS . 1.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 40' ' ' PRO . 9.0 mmm180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.924 0.392 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 152.89 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 19.3 t -56.86 157.32 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -100.32 2.12 42.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 14.6 mmp_? -123.51 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.81 -6.79 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 39.4 mm-40 48.22 50.49 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.24 170.9 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -78.4 95.59 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 51' ' ' LEU . 20.9 mt -83.34 35.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.02 -92.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -45.03 -42.63 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.02 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 14.7 m -104.61 98.97 16.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 39' ' ' SER . 53.9 Cg_endo -69.81 -36.56 10.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -53.42 -55.97 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -78.53 -24.25 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' SER . 49.6 m-20 -77.59 43.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.2 m -107.11 114.62 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.49 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.0 t -61.37 112.38 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -60.32 -21.4 61.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.92 -64.49 3.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.5 p -108.31 15.5 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' CYS . 28.1 m-80 44.83 42.64 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -105.55 -174.68 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 35' ' ' LEU . 33.2 tp -111.35 113.23 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.02 146.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.01 176.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 18.8 mtm105 -80.95 11.16 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.82 -30.53 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.2 -13.94 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.57 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 11.8 ptm180 -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 HD12 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mp -125.47 108.4 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.26 103.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 29.3 p-90 -150.91 150.89 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 43.6 mtt180 -137.99 164.96 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.01 158.51 35.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.466 ' CD ' HD12 ' A' ' 58' ' ' ILE . 18.7 mmtp -41.67 -50.61 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.39 -49.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 6.0 m -65.12 -72.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.401 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 61.5 mmt-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.45 147.84 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.6 t -54.58 162.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' NH2' ' A' ' 30' ' ' ARG . . . -102.55 -3.76 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' NH2' ' O ' ' A' ' 29' ' ' ALA . 13.4 mmp_? -119.65 -34.43 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 32' ' ' GLN . 21.6 p -122.57 2.54 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 35.43 47.15 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.33 177.83 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 p -85.57 99.21 11.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 51' ' ' LEU . 11.0 mt -83.38 34.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.5 -81.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.6 -51.37 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.5 153.74 7.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 69.1 m -95.3 113.35 61.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -45.04 -52.35 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -79.4 -26.89 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' SER . 70.5 m-20 -80.29 40.84 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.409 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 92.7 m -104.62 121.12 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.4 t -66.48 111.81 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -58.88 -18.94 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.97 -61.13 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -110.49 16.55 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.0 m120 42.75 39.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -102.08 179.67 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 35' ' ' LEU . 21.9 tp -108.4 113.33 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.16 150.23 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.6 176.24 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 8.84 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -111.3 -22.57 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.3 m -101.76 23.83 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' CZ ' ' OE1' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -129.37 164.37 23.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -127.28 144.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.562 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 2.1 mp0 -77.32 130.09 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.334 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.1 p-90 -156.37 155.94 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -144.68 166.56 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -75.14 154.3 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 19.6 mtpt -44.52 -40.88 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.71 -42.69 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.41 -69.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.31 157.79 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.55 158.82 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.04 29.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 69' ' ' VAL . 12.4 mmm-85 -118.55 -35.03 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -122.77 -10.78 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 54.69 52.44 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 27' ' ' THR . 33.8 mm-40 -92.75 175.52 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -83.69 98.68 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 51' ' ' LEU . 31.2 mt -83.24 33.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.19 -50.7 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -70.67 -41.6 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.55 169.2 18.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 49.4 m -98.86 101.55 12.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CB ' HD12 ' A' ' 51' ' ' LEU . 54.2 Cg_endo -69.71 -27.37 26.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -63.53 -49.97 71.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 -14.65 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -84.14 48.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -106.23 118.73 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.9 t -64.36 112.78 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -58.09 -21.62 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.77 -65.43 2.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.34 21.32 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' CYS . 25.3 m120 37.78 42.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -105.67 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 40' ' ' PRO . 28.4 tp -104.11 115.03 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -133.5 161.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.47 179.01 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 3.95 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.37 -30.21 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.5 m -91.37 20.54 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.41 171.61 8.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.63 109.67 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -65.59 113.68 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 28.6 p-90 -157.45 145.16 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -139.55 164.48 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -74.57 161.71 29.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.88 55.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 30' ' ' ARG . 94.0 t -69.49 -30.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.9 -63.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.829 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.52 138.26 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.447 ' N ' HD11 ' A' ' 35' ' ' LEU . 15.4 t -43.16 160.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.56 2.44 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -124.53 -30.4 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -123.87 -9.48 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 54.01 35.66 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.21 179.74 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -96.66 98.79 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 28' ' ' CYS . 11.0 mt -84.8 42.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.33 -60.95 6.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -85.4 24.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.49 160.07 23.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -97.93 105.39 27.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -30.07 22.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -58.76 -53.5 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 p -81.42 -22.01 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -84.76 35.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.435 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.5 m -105.26 120.62 42.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.529 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 14.5 t -63.55 114.36 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -57.88 -21.42 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.14 2.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.5 p -106.8 25.26 11.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' CYS . 34.0 m120 33.52 36.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 4.1 m-70 -95.0 177.95 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 tp -108.96 118.04 35.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.31 164.61 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.29 178.75 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -83.33 25.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -127.56 -30.36 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.7 m -93.84 11.67 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 7.7 ptm180 -111.12 165.77 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 58' ' ' ILE . 3.9 mp -128.07 124.5 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -76.38 118.81 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 50.4 p-90 -156.75 157.91 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -140.51 162.58 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.5 p -72.99 155.6 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -47.93 -38.5 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.61 -36.83 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.24 -66.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.422 ' C ' HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -127.55 158.36 37.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.7 t -62.08 160.99 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.89 0.11 29.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -122.27 -35.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.42 -8.45 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 49.66 44.64 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -86.77 173.52 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 t -85.01 100.31 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 27' ' ' THR . 23.7 mt -84.07 31.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.9 -76.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -53.78 -41.1 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 78.2 mt -68.36 151.15 47.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -92.73 116.19 66.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.8 36.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 42' ' ' THR . 14.2 tmtt? -69.21 -58.9 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.461 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 6.4 t -75.78 -19.84 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 77.8 m-20 -86.7 47.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 99.1 m -111.05 120.7 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 29.8 t -66.04 112.61 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -59.3 -17.95 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.88 -63.55 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.93 19.81 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.9 m120 38.11 44.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -105.46 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -111.61 114.69 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.91 150.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 28.6 p -67.62 178.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -83.6 12.56 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -112.37 -36.49 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.9 m -77.02 -14.09 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -83.57 163.07 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 71' ' ' SER . 4.0 mp -130.03 104.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.09 114.93 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 27.8 p-90 -155.01 144.75 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.476 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 45.3 mtm180 -133.36 165.4 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -76.53 159.62 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -39.56 -52.88 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.93 -56.3 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 7.2 m -57.39 -71.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 17.7 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.66 142.25 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -47.88 160.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -101.21 -4.68 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.547 ' NE ' ' CG2' ' A' ' 69' ' ' VAL . 1.4 mmm180 -119.81 -38.32 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' GLN . 31.0 p -118.68 5.5 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 32.49 54.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.45 -175.65 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -92.95 95.36 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 51' ' ' LEU . 5.5 mt -85.95 30.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.77 -55.22 21.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -72.53 -59.59 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.9 mt -45.18 160.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 72.9 m -102.43 116.82 62.31 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.0 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -46.16 -49.49 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -84.16 -26.93 28.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 72.3 m-20 -82.55 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 87.3 m -104.22 121.13 42.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.6 t -68.44 113.75 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -57.0 -23.5 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.14 -65.46 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 p -108.8 19.52 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' CYS . 11.6 m-20 38.51 39.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -99.3 -176.15 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.8 tp -112.35 115.85 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.34 155.87 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -78.41 177.82 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -80.14 10.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.65 -9.44 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -116.19 25.66 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.714 HH22 ' NE2' ' A' ' 59' ' ' GLN . 7.9 ptm180 -126.16 167.04 15.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.44 133.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.714 ' NE2' HH22 ' A' ' 57' ' ' ARG . 16.5 mm-40 -83.86 117.82 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.812 0.339 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.426 ' CZ2' ' C ' ' A' ' 44' ' ' THR . 23.7 p-90 -156.08 143.43 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 55.8 mtt180 -132.6 168.04 18.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -71.58 169.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.16 -39.94 80.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.547 ' CG2' ' NE ' ' A' ' 30' ' ' ARG . 83.0 t -67.48 -35.86 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.8 m -74.35 -66.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.477 ' N ' HD22 ' A' ' 51' ' ' LEU . 1.4 p -129.53 159.89 34.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.0 t -68.04 144.35 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -91.63 11.7 23.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CG ' HG12 ' A' ' 52' ' ' VAL . 13.3 mmp_? -129.84 -39.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -115.26 -12.76 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 53.08 46.09 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.36 162.46 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.5 p -73.11 102.79 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 51' ' ' LEU . 26.9 mt -80.16 39.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.32 -72.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -54.02 -36.14 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.473 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 21.3 mt -69.82 179.22 2.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -134.2 119.48 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -25.87 28.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.5 p -107.46 -22.82 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 67.1 m-20 -79.0 42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.8 m -114.04 115.15 27.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.437 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 20.7 t -59.94 113.1 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -60.56 -18.06 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.78 -64.33 2.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.7 p -105.58 20.55 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' CYS . 75.0 m-20 36.41 42.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -103.99 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 27' ' ' THR . 27.5 tp -110.63 116.52 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG12 ' CG ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -141.38 147.87 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -67.67 176.28 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -81.68 13.28 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.77 -28.67 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.8 m -95.02 17.79 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -124.49 160.55 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -131.21 99.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -58.03 145.03 37.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.775 0.322 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.5 p-90 -165.85 152.23 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 41.7 mtm180 -137.3 162.0 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.88 157.12 38.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 3.3 mtpm? -45.29 -45.61 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.3 -37.09 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 4.4 m -76.38 -64.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.52 139.27 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.2 t -47.29 156.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . -101.78 0.07 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 29' ' ' ALA . 4.8 mmp_? -122.15 -33.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.26 -8.18 9.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 2.7 mm-40 49.45 42.92 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -87.63 175.28 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 t -87.55 102.38 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mt -88.4 27.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.01 -57.37 13.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -66.64 -46.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 20.4 mt -63.51 160.55 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 m -95.87 109.21 45.23 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.11 30.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -63.25 -51.2 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.1 p -86.52 -18.67 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 71.5 m-20 -83.27 36.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.7 m -102.56 122.13 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.7 t -67.28 113.21 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -58.1 -22.35 50.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -64.17 3.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -111.28 19.33 18.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' CYS . 20.2 m-20 41.34 40.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -99.31 -177.01 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 tp -110.59 116.68 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.42 153.28 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -76.97 174.15 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -74.54 3.89 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -106.86 -17.94 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.0 m -108.03 27.18 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -133.16 169.18 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -135.3 117.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 57' ' ' ARG . 10.4 mm-40 -68.03 125.4 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.712 0.292 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 45.8 p-90 -158.04 159.85 36.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -145.9 168.49 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -71.24 170.26 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 2.8 mmmm -61.95 -32.54 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.42 -29.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 m -85.95 -61.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.404 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.92 0.391 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.406 ' N ' HD21 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -119.28 133.64 55.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 30.9 t -48.44 142.04 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -91.45 13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.2 mmm180 -128.93 -41.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -116.14 -14.36 11.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 71.8 mm-40 59.48 48.68 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.79 177.78 6.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 t -91.34 99.99 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.84 33.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.49 -93.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -46.44 -39.27 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.49 149.15 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -98.6 125.21 43.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' LYS . 53.4 Cg_endo -69.79 -50.73 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -36.83 -58.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.6 p -74.81 -30.83 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -82.26 38.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.8 m -112.66 109.5 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ASN . 8.4 t -57.96 110.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -60.98 -17.33 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.4 -62.7 4.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.7 1.71 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' CYS . 13.1 m120 57.78 42.09 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -105.96 -177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 49.1 tp -113.62 118.96 35.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.83 172.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -93.87 179.58 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -83.06 27.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -128.23 -28.69 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.3 m -99.05 21.43 11.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.641 ' NH2' ' CD1' ' A' ' 65' ' ' TRP . 11.7 ptm180 -117.78 167.61 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 68' ' ' LYS . 3.8 mp -133.38 122.95 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.05 124.39 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.641 ' CD1' ' NH2' ' A' ' 57' ' ' ARG . 57.6 p-90 -156.61 160.89 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -142.87 162.17 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.5 165.48 23.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -56.95 -39.18 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG22 ' NE ' ' A' ' 30' ' ' ARG . 61.3 t -65.43 -35.68 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.27 -63.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 6.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.433 ' C ' HD11 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.76 152.75 48.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.435 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -57.39 165.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -9.24 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -111.42 -36.5 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 22.7 p -118.29 -8.57 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.55 36.65 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' CG ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -77.71 165.13 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 t -77.77 102.9 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.433 HD11 ' C ' ' A' ' 27' ' ' THR . 61.7 mt -80.93 36.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -68.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.38 -46.38 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 79.0 mt -59.4 -178.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -141.53 127.2 10.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 42' ' ' THR . 5.9 tptm -51.92 -69.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 4.7 t -97.96 -8.87 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 39' ' ' SER . 11.4 m-20 -79.2 43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 97.1 m -118.74 120.41 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 27.1 t -60.4 114.27 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -59.7 -18.69 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.58 -66.83 1.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.6 p -104.3 25.45 10.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' CYS . 82.2 m-20 33.46 40.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.48 170.85 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 35' ' ' LEU . 17.7 tp -101.44 116.82 33.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.51 155.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -76.55 178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 11.4 mtp-105 -80.02 13.16 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 -28.87 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.6 m -96.07 22.06 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -121.93 166.2 14.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 58' ' ' ILE . 4.5 mp -134.68 120.1 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.63 117.95 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' OE2' ' NH2' ' A' ' 66' ' ' ARG . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 53.0 p-90 -154.17 163.95 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 52.9 mtm180 -145.51 167.89 21.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -74.82 168.89 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -54.65 -47.09 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.48 -41.49 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 3.1 m -69.17 -69.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -128.19 153.5 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 32.3 t -57.48 150.37 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -96.81 10.4 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 3.7 mmm180 -128.73 -39.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.71 -11.19 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 28' ' ' CYS . 20.6 mm100 55.25 47.99 20.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.13 169.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -83.86 97.29 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 27' ' ' THR . 12.0 mt -83.82 31.21 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -45.11 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -45.68 -42.12 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.9 163.1 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -105.24 117.36 58.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -23.78 30.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -64.31 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -68.11 -20.38 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -89.86 49.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.553 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.1 m -116.55 118.57 32.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.5 t -63.67 112.58 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -58.59 -21.64 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.38 -64.92 3.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.04 17.27 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.0 m120 44.09 39.94 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -99.72 -174.77 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 32.6 tp -113.03 123.88 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.36 167.59 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.29 178.91 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 1.1 ptm180 -84.15 21.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.0 -20.42 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.9 m -103.61 0.76 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 9.5 ptm180 -94.74 167.23 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.46 HD11 ' N ' ' A' ' 58' ' ' ILE . 4.3 mp -134.59 125.03 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -76.69 119.86 21.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 47.6 p-90 -151.73 156.64 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -148.09 164.26 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -73.25 154.12 40.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -42.85 -45.17 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' NE ' ' A' ' 30' ' ' ARG . 57.5 t -62.87 -36.41 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.98 -62.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.84 . . . . . . . . 0 0 . 1 . 001 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 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -174.15 157.22 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -166.54 167.8 15.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.77 140.15 3.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 161.96 40.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -160.13 176.74 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.48 139.58 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 8' ' ' LEU . 1.8 pt? -169.65 153.19 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 mt -130.52 160.09 35.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -134.75 112.24 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.8 mt -97.35 134.44 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -151.22 110.7 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -123.77 173.98 7.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HE3' ' CE1' ' A' ' 23' ' ' TYR . 16.1 ttmm -36.49 -46.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.08 -59.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 140.33 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -55.34 164.92 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -61.77 90.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.52 74.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -110.8 101.07 9.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.49 125.77 29.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 m170 67.66 48.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 67.6 t80 -84.07 38.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.6 p -144.76 138.35 27.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -127.01 161.59 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -124.2 98.71 5.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.419 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -130.56 141.18 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.2 t -41.68 159.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.93 -1.29 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? -119.21 -28.82 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.37 -8.77 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 50.62 49.51 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -89.63 171.15 9.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 p -80.69 96.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 51' ' ' LEU . 10.6 mt -88.21 33.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.78 -68.02 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -56.05 -44.39 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.15 169.37 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -109.38 113.29 58.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.92 19.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -58.44 -41.34 84.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 p -93.5 -25.21 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -83.07 39.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -104.12 124.27 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.2 t -67.72 112.24 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -57.35 -19.87 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.37 -65.23 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 p -107.56 20.66 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' CYS . 45.4 m-80 37.86 40.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -99.39 -175.54 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 35' ' ' LEU . 27.5 tp -113.18 115.64 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.02 163.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -88.82 178.17 6.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.45 13.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -115.92 -25.0 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.4 m -101.27 21.11 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.91 167.32 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.8 mp -128.95 134.07 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -73.93 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -124.89 178.36 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.6 m -72.41 -175.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 47.53 25.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.64 38.58 91.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -116.41 157.03 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.177 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -150.43 148.61 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.89 162.82 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -72.16 154.13 41.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 31.4 mttt -44.03 -46.45 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -60.6 -31.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -86.12 -66.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 m -62.56 -37.68 87.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -67.52 -156.3 0.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.55 24.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.4 m -68.81 151.87 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -143.67 129.13 19.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.442 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -147.42 152.67 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -169.32 169.49 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.55 166.87 23.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -161.04 147.01 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -166.92 161.84 15.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 135.8 3.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -118.94 171.41 8.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -128.23 171.61 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -137.44 133.59 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.8 mm -112.16 131.13 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.83 133.58 22.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.81 170.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -50.36 127.97 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.88 128.08 8.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 166.62 10.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -150.8 156.62 41.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 135.49 35.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.75 -99.9 2.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t 38.56 43.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 110.848 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -49.97 -53.91 23.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -111.68 177.87 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -122.46 -47.93 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 t -55.77 119.13 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -159.2 154.66 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -106.97 91.03 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.461 ' CA ' HD13 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -130.3 149.43 52.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.3 t -52.97 154.9 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.07 43.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 3.1 mmm180 -124.51 -38.66 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.38 -5.15 11.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 48.86 36.96 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -78.27 172.62 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -84.7 99.39 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD13 ' CA ' ' A' ' 27' ' ' THR . 9.8 mt -83.94 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.07 -80.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -52.58 -56.91 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -49.07 148.44 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 123.41 57.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.74 29.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -58.69 -71.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 t -65.32 -24.56 67.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -83.82 44.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -113.92 113.61 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASN . 22.9 t -56.44 111.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -60.2 -16.33 32.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 -63.27 2.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.97 17.02 22.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' CYS . 9.6 m120 42.47 41.74 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -103.78 172.49 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 35' ' ' LEU . 22.7 tp -102.65 115.29 30.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.29 162.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -80.49 179.24 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -82.6 10.22 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.69 -32.62 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.2 m -88.28 10.98 17.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.48 163.31 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 5.0 mp -130.18 118.79 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.83 127.27 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLY . 10.0 mt-10 -94.8 129.93 41.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' GLU . 37.9 p -36.66 -47.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.44 -45.64 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 149.44 -38.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.0 p -65.6 -175.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.3 p-90 -160.48 156.38 25.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -144.09 166.32 25.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.03 157.93 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 36.1 mttt -48.52 -44.29 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG21 ' NE ' ' A' ' 30' ' ' ARG . 43.0 t -62.1 -33.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m -81.72 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.6 t -56.11 -41.81 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.88 143.5 16.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.9 p -170.63 149.48 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -51.97 -54.83 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.437 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -174.98 170.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -171.87 174.39 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.66 160.55 12.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -173.46 159.55 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -165.46 175.17 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.48 114.18 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -140.86 119.98 12.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.882 0.372 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.23 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -156.49 129.81 8.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mt -120.78 131.16 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.39 144.42 30.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -165.93 172.3 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -103.98 -67.95 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 175.65 111.7 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.83 105.92 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -102.39 -44.08 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -127.88 -45.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.45 -105.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -48.86 149.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -121.64 53.43 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -72.05 87.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -93.83 22.78 5.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.8 m -59.11 98.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 11.4 p30 -123.62 168.49 12.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -118.19 94.97 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.66 146.18 50.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 14.0 t -46.24 162.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.5 -3.37 22.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 30' ' ' ARG . 1.5 mmp_? -121.52 -34.1 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 p -116.91 -7.43 11.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 29.7 mm-40 45.15 47.89 9.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -94.47 171.35 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -80.0 101.25 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 51' ' ' LEU . 7.5 mt -83.4 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.37 -80.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 24.6 ptt180 -46.28 -39.02 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 15.2 mt -71.96 171.96 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 70.7 m -114.66 121.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -42.42 3.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -45.38 -60.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -74.05 -24.95 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' SER . 72.2 m-20 -84.13 46.72 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 90.9 m -114.68 115.98 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 30.4 t -63.05 112.82 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -60.59 -17.33 45.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.18 -64.06 2.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.95 20.28 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' CYS . 2.6 m-80 38.36 41.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.47 -177.25 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' CD1' HD13 ' A' ' 35' ' ' LEU . 21.9 tp -112.11 112.12 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.74 144.69 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -64.47 177.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.66 12.36 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -113.58 -29.62 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -94.48 21.39 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NE ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -123.88 164.33 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.12 119.68 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.36 121.98 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' SER . 9.6 mt-10 -92.46 129.87 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.7 t -37.02 -47.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 6.9 t-20 -48.92 -54.78 14.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.66 -33.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -73.36 179.4 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 34.5 p-90 -157.01 149.42 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -133.62 165.07 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.98 161.85 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -50.67 -44.01 57.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.82 -37.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.21 -69.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.51 -41.34 85.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -50.58 143.64 12.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.26 33.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -97.18 99.42 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.1 t -113.59 102.71 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -161.97 172.47 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -172.13 174.46 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 -174.75 37.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -147.55 176.89 9.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -124.23 -62.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.31 147.77 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -138.81 127.44 23.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.8 mp -94.1 177.16 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -143.06 133.11 24.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mm -91.9 138.17 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.86 129.95 22.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.1 174.29 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -59.98 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.38 -164.14 21.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.8 162.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.03 176.23 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.957 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LYS . 22.5 mmm180 -31.19 130.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 -99.41 0.73 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.2 p -80.07 121.51 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -126.84 109.7 12.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -87.79 79.79 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 34.8 t80 -110.77 167.32 10.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' TYR . 31.9 m -37.54 148.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -174.75 172.49 2.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -114.68 93.46 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.409 ' C ' HD11 ' A' ' 35' ' ' LEU . 1.5 p -130.08 149.86 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.7 t -57.87 147.57 28.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.85 10.9 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 52' ' ' VAL . 10.0 mmt180 -131.36 -33.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -121.22 -12.5 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 54.65 47.17 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -89.6 173.35 8.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 p -88.77 96.14 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 27' ' ' THR . 8.6 mt -82.3 38.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.7 -56.76 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -67.33 -51.13 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.92 170.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -109.53 117.06 53.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.46 12.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -53.62 -49.44 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -84.03 -28.05 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -81.14 39.82 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.4 m -104.98 121.11 43.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASN . 18.9 t -65.35 112.16 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -59.78 -17.84 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -64.63 2.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -107.16 19.8 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' CYS . 14.6 m-80 39.33 43.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -104.25 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 27' ' ' THR . 25.6 tp -114.49 117.83 32.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -140.8 151.0 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 p -68.96 177.17 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -81.44 15.04 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -115.91 -35.28 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.35 18.86 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.475 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -123.91 168.83 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -132.75 126.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.412 ' HG3' ' NH1' ' A' ' 57' ' ' ARG . 36.6 mt-30 -79.83 99.94 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' SER . 24.9 mt-10 -67.14 154.99 39.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.9 m -37.18 -57.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -69.56 -175.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 45.73 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.3 p -136.47 155.62 49.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.475 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 19.9 p-90 -149.37 147.52 28.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -133.01 167.86 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 p -72.76 153.2 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 37.4 mttt -44.95 -43.01 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.0 t -62.81 -35.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.3 -66.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -40.63 77.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.48 -148.01 1.08 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 148.25 64.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.1 t -121.48 152.32 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -126.35 133.61 51.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.516 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -174.62 161.85 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -163.26 177.0 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 -165.82 15.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -172.88 165.14 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -164.39 170.89 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.74 124.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -134.25 140.45 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 11' ' ' ILE . 4.2 pp -159.38 159.84 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.14 121.98 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.401 HG12 ' CD1' ' A' ' 9' ' ' LEU . 34.7 mm -104.67 145.43 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -144.92 108.78 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -146.7 163.4 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -115.65 151.6 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.31 -132.74 1.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.26 89.09 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.03 56.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 53.81 44.94 28.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.38 141.92 9.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.37 166.52 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -95.37 -47.09 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -44.81 -58.56 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -108.88 113.89 27.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -130.22 81.38 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -94.86 145.66 24.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -114.09 94.42 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -127.03 156.03 42.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.461 ' N ' HD12 ' A' ' 35' ' ' LEU . 17.1 t -57.96 159.3 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.82 0.67 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.3 mmm180 -118.29 -37.21 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.14 -11.27 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 56.65 38.73 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -81.57 169.85 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -83.67 104.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 28' ' ' CYS . 16.0 mt -87.26 34.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.26 -57.6 17.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -42.17 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 17.8 mt -72.76 144.1 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -86.08 121.26 72.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 42' ' ' THR . 8.1 tmtt? -40.8 -56.42 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.471 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 8.1 t -75.27 -25.09 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 79.7 m-20 -87.43 47.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -111.87 116.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASN . 16.0 t -61.73 112.72 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -58.94 -19.17 40.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.29 -65.25 2.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.3 p -106.4 20.53 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.2 m120 37.94 41.26 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -103.03 177.11 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 27' ' ' THR . 25.0 tp -107.66 114.65 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.98 160.22 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -81.81 175.31 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -77.56 9.73 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -112.32 -27.57 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -97.56 16.44 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' NH2' ' OE1' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -120.18 168.34 11.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 ' N ' HD13 ' A' ' 58' ' ' ILE . 4.3 mp -133.83 128.3 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' OE1' ' NH2' ' A' ' 57' ' ' ARG . 8.9 mm100 -81.16 122.56 27.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.78 139.5 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -41.7 -57.81 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -43.72 -35.93 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.5 -35.39 2.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -63.18 178.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 33.5 p-90 -157.72 145.0 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.84 163.81 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 p -71.7 158.99 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -47.07 -48.74 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.473 HG22 ' NE ' ' A' ' 30' ' ' ARG . 47.4 t -57.94 -38.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.2 m -75.69 -69.63 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 t -54.07 -43.6 70.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.44 -165.93 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.48 12.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m -116.02 164.32 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.5 t -104.28 159.02 16.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -174.33 169.1 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -108.73 81.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.17 -159.19 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -151.63 162.52 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -152.8 160.43 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.62 115.16 1.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.7 76.04 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -37.76 153.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.57 77.53 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mt -102.82 141.41 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -174.25 146.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -63.29 -46.49 86.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.75 -179.5 45.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -81.85 163.62 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' ALA . 4.4 ptpt 31.87 51.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtt-85 -115.47 162.46 17.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.74 123.59 5.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 t -74.2 -60.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.86 172.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 46.22 48.28 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.98 -46.31 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 p -76.02 90.02 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.63 165.02 28.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -112.54 93.01 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.419 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.94 144.37 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -48.39 162.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.16 -4.19 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmp_? -117.69 -36.25 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.12 -7.05 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 48.38 39.02 11.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.72 172.38 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 p -83.2 101.96 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 51' ' ' LEU . 10.3 mt -87.5 34.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.79 -63.71 5.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.447 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -61.5 -44.95 96.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.93 164.89 16.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -107.4 122.52 40.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -43.34 -57.52 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -74.49 -29.68 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -83.69 46.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -111.49 115.44 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.7 t -60.26 112.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -60.05 -17.79 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.46 -64.35 2.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 p -108.3 17.98 21.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.9 m120 42.87 41.02 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -102.64 176.52 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' CD1' HD11 ' A' ' 35' ' ' LEU . 18.7 tp -106.71 113.96 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.86 150.54 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -71.64 179.24 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -81.34 11.2 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.23 -24.56 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -99.43 21.65 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.86 169.18 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.5 mp -128.31 126.08 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -78.51 103.21 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 13.5 mm-40 -77.22 151.95 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' GLU . 28.8 t -37.02 -61.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -65.67 -178.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.77 48.93 3.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -139.58 158.7 43.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.174 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 31.9 p-90 -154.28 153.96 32.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -137.95 167.84 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -71.77 158.47 36.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.486 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 6.5 mtpp -50.3 -39.72 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.89 -36.08 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.04 -67.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 37.5 t -59.83 -38.92 83.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.71 141.9 46.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.79 1.58 4.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 73' ' ' PRO . 73.5 m -32.47 -68.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.5 p -67.05 98.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.508 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m -157.46 174.12 15.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -164.77 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.31 -166.19 20.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -167.51 169.7 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -171.94 175.6 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.47 27.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tt -142.51 129.7 20.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.354 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' ' 9' ' ' LEU . 1.8 pt? -145.27 168.62 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -163.87 157.84 19.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 12' ' ' LYS . 5.1 mp -91.76 153.24 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -167.27 130.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -166.46 163.7 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 71.2 mttt -36.43 -48.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.69 120.53 22.79 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -92.76 165.22 13.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' ALA . 29.8 mtmm -36.56 -55.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -107.82 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.77 72.73 0.69 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -40.95 -60.88 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.64 166.27 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -99.69 -57.07 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -168.79 176.88 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -37.79 150.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -155.83 166.47 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -117.82 96.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.99 148.2 52.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.468 ' N ' HD13 ' A' ' 35' ' ' LEU . 12.3 t -48.3 164.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.2 -0.85 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.3 mmp_? -122.1 -32.09 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.94 -7.94 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 27.7 mm-40 50.91 44.32 28.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -81.81 175.03 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -89.16 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 28' ' ' CYS . 17.4 mt -86.16 28.09 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.77 -63.53 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 37' ' ' ARG . 28.2 mtm105 -68.27 -37.72 80.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.4 143.38 50.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -85.52 123.8 72.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -39.94 -66.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -63.79 -28.36 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -85.45 45.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 93.1 m -112.61 118.75 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.8 t -62.93 112.33 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -58.8 -18.25 30.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.9 2.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.14 20.38 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' CYS . 33.3 m120 39.33 41.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -101.78 171.98 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.5 tp -103.64 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.02 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.2 p -88.37 179.29 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.98 23.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -125.19 -29.17 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.19 19.29 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' NH2' ' NE2' ' A' ' 59' ' ' GLN . 12.6 ptm180 -112.49 171.11 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.477 HD12 ' N ' ' A' ' 58' ' ' ILE . 4.2 mp -135.14 119.33 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.534 ' NE2' ' NH2' ' A' ' 57' ' ' ARG . 17.4 mm-40 -74.21 118.41 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.61 147.45 24.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 62' ' ' ASN . 50.2 m -63.41 -55.74 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 61' ' ' SER . 23.8 t30 -33.27 -63.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.8 33.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.5 p -142.42 -176.25 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 26.5 p-90 -155.75 141.31 17.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 20.8 mtt180 -133.22 165.02 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.52 163.35 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -52.0 -40.7 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' NE ' ' A' ' 30' ' ' ARG . 86.9 t -63.03 -40.95 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.6 m -68.97 -69.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -42.13 70.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.19 161.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.6 Cg_endo -69.72 -1.46 8.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' PRO . 2.6 t -33.83 143.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -71.0 119.43 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.453 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -173.39 141.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -119.31 172.94 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.88 169.51 42.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -162.42 171.44 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -164.32 175.63 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.36 -177.75 15.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 tp -158.27 140.2 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.1 138.16 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.6 163.42 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.3 mt -115.36 147.44 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.01 116.4 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.32 157.51 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -63.94 136.53 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -90.4 -85.45 1.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 74.59 36.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.048 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ARG . 20.0 tptp -91.42 -38.74 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' LYS . 20.8 tpt180 -35.13 -49.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.68 -142.27 3.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -43.84 110.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -52.34 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -77.29 83.22 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 24' ' ' SER . 18.5 p90 -47.9 -52.07 20.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 3.5 m -41.51 119.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -121.45 163.38 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -119.26 96.53 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -124.94 161.33 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 t -66.73 155.11 38.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -99.41 8.75 44.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 3.4 mmm180 -128.12 -35.32 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.05 -9.78 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 54.18 41.27 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -82.62 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 t -90.67 98.95 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.48 44.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ARG . . . -60.61 -92.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 2.1 tpm_? -37.45 -46.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.43 -179.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 m -125.86 115.66 24.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.4 37.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -44.29 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.3 -6.09 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -94.73 46.08 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -113.98 115.42 27.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' ASN . 6.1 t -63.29 113.1 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -56.04 -23.38 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.1 -65.15 2.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASN . 8.2 p -108.96 20.25 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' CYS . 32.2 m120 36.47 40.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.66 174.54 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 29' ' ' ALA . 41.2 tp -100.99 118.98 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.11 160.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -82.17 174.54 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 8.52 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.77 -28.3 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.94 21.41 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.87 161.25 28.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD11 ' N ' ' A' ' 58' ' ' ILE . 4.1 mp -125.13 149.15 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -90.58 120.6 31.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -92.21 175.43 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.5 t -84.02 -28.88 27.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -85.49 47.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 42.76 30.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 p -121.56 175.47 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 27.6 p-90 -155.96 148.67 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 37.6 mtt180 -142.29 167.93 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.19 154.37 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 15.3 mtpt -45.06 -41.56 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' CG2' ' NE ' ' A' ' 30' ' ' ARG . 26.2 t -63.53 -39.1 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.7 m -73.17 -70.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.7 t -56.35 -41.47 76.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.82 157.49 30.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.06 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -115.51 144.99 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.4 p -44.06 111.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -172.14 156.32 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -162.44 176.29 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.95 -146.01 15.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t 71.5 42.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -107.81 175.14 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.7 124.23 2.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -154.05 108.82 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -172.95 157.7 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 21.6 tp10 -165.29 151.89 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 4.7 mp -94.99 150.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 106.81 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -156.39 146.66 21.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -98.37 44.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.08 -175.53 24.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.5 170.85 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -54.93 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -86.93 111.93 21.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.41 101.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -96.43 -59.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.33 84.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -143.96 130.42 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -167.3 168.5 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -53.2 132.85 39.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.01 150.86 41.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.19 98.85 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.23 155.56 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.0 t -58.97 161.21 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.75 0.48 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -123.31 -33.55 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 28.9 p -119.01 -9.39 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 53.72 34.72 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' CG ' ' SG ' ' A' ' 31' ' ' CYS . 11.4 mm-40 -72.75 167.81 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -84.92 98.34 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.14 33.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.95 -69.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 1.3 tmt_? -61.6 -47.54 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 46.0 mt -55.13 178.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -145.7 138.55 13.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -20.3 35.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -37.8 -66.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -100.1 -13.3 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 17.8 m-20 -82.24 40.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.2 m -115.17 119.71 37.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 8.8 t -67.24 112.95 4.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -60.25 -19.93 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.71 -62.5 4.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.0 p -109.66 13.05 23.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.7 m120 46.6 43.36 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.86 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -102.29 116.67 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -135.47 163.8 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.74 177.07 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -82.63 15.7 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.46 -35.64 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' LYS . 61.5 m -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.567 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 8.8 ptm180 -87.16 155.88 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.73 128.49 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' NE2' HH22 ' A' ' 57' ' ' ARG . 8.4 mm-40 -74.85 114.69 13.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.65 170.7 9.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -78.49 -25.45 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 64' ' ' THR . 13.0 t-20 -83.89 47.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.39 25.6 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' ASN . 36.6 p -123.63 174.77 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 35.6 p-90 -152.53 149.92 29.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 14.6 mtt85 -140.0 166.2 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -73.33 163.94 27.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' CYS . 18.3 mmtp -42.87 -53.14 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.53 -58.49 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.481 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 11.4 m -54.38 -64.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 70' ' ' CYS . 1.2 p -37.58 -51.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -87.87 -141.21 7.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 54.0 Cg_endo -69.72 135.74 31.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -129.79 -43.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -103.54 41.48 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.447 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -169.35 132.5 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -170.58 174.97 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.45 123.95 1.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -173.17 128.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -167.21 139.23 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 110.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tt -143.72 145.22 32.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -162.72 150.28 13.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -168.99 124.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.5 mt -115.86 131.8 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -153.03 131.36 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -167.79 153.72 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -87.64 85.04 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.78 -54.17 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -123.73 147.75 47.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -49.59 162.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.7 66.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 t -145.83 107.98 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -83.34 -44.6 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -158.25 132.46 8.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -85.53 -52.63 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.3 m -64.4 150.1 47.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -170.23 145.13 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.409 ' HE ' ' CG ' ' A' ' 40' ' ' PRO . 9.0 mmm180 -114.51 94.35 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 152.89 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 19.3 t -56.86 157.32 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -100.32 2.12 42.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 14.6 mmp_? -123.51 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.81 -6.79 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 39.4 mm-40 48.22 50.49 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -89.24 170.9 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -78.4 95.59 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 51' ' ' LEU . 20.9 mt -83.34 35.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.02 -92.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -45.03 -42.63 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.8 mt -52.02 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 14.7 m -104.61 98.97 16.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 39' ' ' SER . 53.9 Cg_endo -69.81 -36.56 10.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -53.42 -55.97 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -78.53 -24.25 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' SER . 49.6 m-20 -77.59 43.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.2 m -107.11 114.62 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.49 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.0 t -61.37 112.38 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -60.32 -21.4 61.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.92 -64.49 3.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.5 p -108.31 15.5 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' CYS . 28.1 m-80 44.83 42.64 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -105.55 -174.68 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 35' ' ' LEU . 33.2 tp -111.35 113.23 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.02 146.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.01 176.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 18.8 mtm105 -80.95 11.16 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.82 -30.53 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.2 -13.94 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.57 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 11.8 ptm180 -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 HD12 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mp -125.47 108.4 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.26 103.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 m -38.26 -59.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 63' ' ' GLY . 6.8 t30 -69.5 -174.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.51 ' H ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.64 48.15 3.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.2 p -139.21 162.59 34.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 29.3 p-90 -150.91 150.89 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 43.6 mtt180 -137.99 164.96 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.01 158.51 35.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLY . 18.7 mmtp -41.67 -50.61 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.39 -49.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 6.0 m -65.12 -72.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.401 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 m -54.77 -37.37 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -38.46 123.06 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.81 158.74 55.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 67.4 m 36.98 43.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' GLY . 6.2 t -115.25 41.74 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -174.47 160.28 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -169.74 163.31 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.88 -105.33 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t 61.26 44.86 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -73.26 170.8 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.54 165.19 22.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -132.75 167.96 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -150.02 174.07 13.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -149.62 145.4 26.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.7 mt -118.46 149.78 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.56 140.03 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.55 165.11 27.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.23 124.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.03 -129.25 4.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.24 133.81 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -50.68 -35.43 30.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 29.2 ttt180 -134.9 96.43 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.98 -174.68 21.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t -174.16 146.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -107.29 165.8 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -83.69 83.21 7.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.27 92.47 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -75.94 99.76 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 26' ' ' ARG . 7.5 t0 -140.93 160.65 39.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 61.5 mmt-85 -127.54 98.21 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.45 147.84 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.6 t -54.58 162.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' NH2' ' A' ' 30' ' ' ARG . . . -102.55 -3.76 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' NH2' ' O ' ' A' ' 29' ' ' ALA . 13.4 mmp_? -119.65 -34.43 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 32' ' ' GLN . 21.6 p -122.57 2.54 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 35.43 47.15 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -86.33 177.83 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 p -85.57 99.21 11.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 51' ' ' LEU . 11.0 mt -83.38 34.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.5 -81.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.6 -51.37 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.5 153.74 7.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 69.1 m -95.3 113.35 61.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -45.04 -52.35 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -79.4 -26.89 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 39' ' ' SER . 70.5 m-20 -80.29 40.84 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.409 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 92.7 m -104.62 121.12 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.4 t -66.48 111.81 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -58.88 -18.94 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.97 -61.13 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -110.49 16.55 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.0 m120 42.75 39.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -102.08 179.67 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 35' ' ' LEU . 21.9 tp -108.4 113.33 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.16 150.23 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.6 176.24 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 8.84 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -111.3 -22.57 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.3 m -101.76 23.83 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' CZ ' ' OE1' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -129.37 164.37 23.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -127.28 144.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.562 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 2.1 mp0 -77.32 130.09 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -122.62 -175.94 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -77.7 -175.48 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 46.2 25.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.17 37.6 93.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.0 p -112.02 170.3 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.334 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.1 p-90 -156.37 155.94 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -144.68 166.56 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -75.14 154.3 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 19.6 mtpt -44.52 -40.88 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.3 t -62.71 -42.69 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.41 -69.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -55.0 -45.88 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -49.91 166.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.91 3.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 m 61.52 38.03 16.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -122.54 81.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -173.99 174.33 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -142.94 177.23 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.08 164.38 36.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -167.24 158.77 12.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -148.55 176.65 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.56 137.71 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 mt -134.84 167.14 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -159.45 160.19 34.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -156.81 117.56 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.86 119.7 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -127.99 133.38 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -162.29 155.45 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -87.89 152.39 22.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.98 109.1 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -61.75 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? 72.48 45.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -171.78 139.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.3 -44.0 1.56 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -99.65 113.52 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.61 -50.36 37.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -57.19 87.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.67 163.1 11.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -124.86 102.01 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -139.75 133.95 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -123.4 94.07 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.31 157.79 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.55 158.82 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.04 29.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.592 ' CZ ' ' CG2' ' A' ' 69' ' ' VAL . 12.4 mmm-85 -118.55 -35.03 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -122.77 -10.78 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 54.69 52.44 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' O ' ' CG2' ' A' ' 27' ' ' THR . 33.8 mm-40 -92.75 175.52 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -83.69 98.68 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 51' ' ' LEU . 31.2 mt -83.24 33.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.19 -50.7 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -70.67 -41.6 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.55 169.2 18.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 49.4 m -98.86 101.55 12.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' CB ' HD12 ' A' ' 51' ' ' LEU . 54.2 Cg_endo -69.71 -27.37 26.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -63.53 -49.97 71.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -86.59 -14.65 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -84.14 48.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -106.23 118.73 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.9 t -64.36 112.78 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -58.09 -21.62 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.77 -65.43 2.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.34 21.32 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' CYS . 25.3 m120 37.78 42.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -105.67 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 40' ' ' PRO . 28.4 tp -104.11 115.03 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -133.5 161.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.47 179.01 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 3.95 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.37 -30.21 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.5 m -91.37 20.54 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.41 171.61 8.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.63 109.67 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -65.59 113.68 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.81 178.95 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ASN . 3.0 m -92.01 -59.28 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' SER . 2.8 t30 -33.9 -57.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.23 34.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -139.83 -177.63 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 28.6 p-90 -157.45 145.16 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -139.55 164.48 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -74.57 161.71 29.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -34.88 55.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.592 ' CG2' ' CZ ' ' A' ' 30' ' ' ARG . 94.0 t -69.49 -30.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.9 -63.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.1 t -63.41 -41.0 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.43 -155.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 109.39 2.29 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.5 t -109.44 102.78 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -161.62 109.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.482 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -172.94 162.61 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.393 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -173.41 169.6 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 159.68 17.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -171.1 155.53 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -161.26 175.38 12.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 149.46 10.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.0 mt -150.25 170.91 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 pp -160.92 175.49 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -155.21 148.61 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -116.72 142.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -142.21 146.8 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -152.58 179.38 8.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -80.24 -37.16 33.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . 131.09 159.4 9.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.78 139.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -23.72 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -57.83 99.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.31 -175.46 21.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -71.75 143.41 49.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -56.09 -42.76 77.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -80.58 46.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.75 -56.33 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -61.53 122.09 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -140.08 -179.94 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -109.52 92.53 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.52 138.26 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.447 ' N ' HD11 ' A' ' 35' ' ' LEU . 15.4 t -43.16 160.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.56 2.44 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -124.53 -30.4 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -123.87 -9.48 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 54.01 35.66 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -71.21 179.74 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -96.66 98.79 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 28' ' ' CYS . 11.0 mt -84.8 42.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.33 -60.95 6.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -85.4 24.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.49 160.07 23.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -97.93 105.39 27.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -30.07 22.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -58.76 -53.5 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 p -81.42 -22.01 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -84.76 35.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.5 m -105.26 120.62 42.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.529 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 14.5 t -63.55 114.36 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -57.88 -21.42 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.14 2.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.5 p -106.8 25.26 11.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' CYS . 34.0 m120 33.52 36.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 4.1 m-70 -95.0 177.95 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.0 tp -108.96 118.04 35.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.31 164.61 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.29 178.75 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -83.33 25.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -127.56 -30.36 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.7 m -93.84 11.67 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 7.7 ptm180 -111.12 165.77 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 58' ' ' ILE . 3.9 mp -128.07 124.5 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -76.38 118.81 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -94.27 174.83 6.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -50.59 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -74.13 -173.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.91 44.91 1.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p -127.05 159.27 34.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 50.4 p-90 -156.75 157.91 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -140.51 162.58 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.5 p -72.99 155.6 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -47.93 -38.5 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.61 -36.83 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.24 -66.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 t -58.26 -45.72 87.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.12 -170.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -39.16 6.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.4 m -130.73 163.55 27.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.3 m -129.35 157.69 41.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -174.26 151.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -174.87 174.1 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.51 147.22 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -170.82 160.38 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.59 164.97 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.73 151.56 7.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 8' ' ' LEU . 1.9 pt? -174.02 154.42 2.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 mt -144.24 176.77 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -171.38 133.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -110.22 148.25 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -151.37 151.53 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -158.36 162.06 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 10.6 ptpt -66.25 -50.39 63.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . -168.84 146.89 10.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.33 -53.2 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -46.14 169.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -91.53 -59.01 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.18 76.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.9 p -85.04 -50.12 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -117.16 105.44 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -45.89 154.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 43.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 m -74.9 86.96 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -135.46 175.07 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -103.2 92.96 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.422 ' C ' HD11 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -127.55 158.36 37.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.7 t -62.08 160.99 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.89 0.11 29.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -122.27 -35.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.42 -8.45 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 49.66 44.64 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -86.77 173.52 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 t -85.01 100.31 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 27' ' ' THR . 23.7 mt -84.07 31.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.9 -76.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -53.78 -41.1 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 78.2 mt -68.36 151.15 47.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -92.73 116.19 66.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.8 36.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 42' ' ' THR . 14.2 tmtt? -69.21 -58.9 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.461 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 6.4 t -75.78 -19.84 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 77.8 m-20 -86.7 47.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 99.1 m -111.05 120.7 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.569 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 29.8 t -66.04 112.61 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -59.3 -17.95 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.88 -63.55 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.93 19.81 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.9 m120 38.11 44.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -105.46 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -111.61 114.69 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.91 150.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.41 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 28.6 p -67.62 178.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -83.6 12.56 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -112.37 -36.49 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.9 m -77.02 -14.09 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -83.57 163.07 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 71' ' ' SER . 4.0 mp -130.03 104.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.09 114.93 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLY . 11.8 mm-40 -90.06 129.06 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.5 p -39.72 -43.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -52.61 -42.09 64.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 142.95 -33.56 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.7 p -74.18 -179.59 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 27.8 p-90 -155.01 144.75 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 45.3 mtm180 -133.36 165.4 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -76.53 159.62 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -39.56 -52.88 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.9 t -55.93 -56.3 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 7.2 m -57.39 -71.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 17.7 t -42.91 -46.71 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -47.79 173.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.95 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.254 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 m 68.29 42.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 m -93.76 107.91 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.5 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -154.9 131.41 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -153.32 168.74 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.49 58.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -100.24 151.7 21.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -164.49 164.9 21.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.83 105.29 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.57 158.6 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -172.84 144.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -138.06 136.85 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 mt -117.61 132.48 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -142.39 119.61 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -138.21 127.91 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -48.67 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.68 -85.96 0.21 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.85 45.53 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -49.13 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -68.4 165.35 18.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.35 -42.16 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.0 p -165.24 122.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -101.36 114.21 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 35.1 p-80 -83.67 121.4 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -91.58 85.81 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -160.91 148.15 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.31 171.31 15.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -125.08 98.74 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.66 142.25 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.469 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -47.88 160.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -101.21 -4.68 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' NE ' ' CG2' ' A' ' 69' ' ' VAL . 1.4 mmm180 -119.81 -38.32 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' GLN . 31.0 p -118.68 5.5 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER 32.49 54.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.45 -175.65 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -92.95 95.36 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD11 ' CD1' ' A' ' 51' ' ' LEU . 5.5 mt -85.95 30.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.77 -55.22 21.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -72.53 -59.59 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.9 mt -45.18 160.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 72.9 m -102.43 116.82 62.31 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.0 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -46.16 -49.49 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -84.16 -26.93 28.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 72.3 m-20 -82.55 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 87.3 m -104.22 121.13 42.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.6 t -68.44 113.75 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -57.0 -23.5 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.14 -65.46 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 p -108.8 19.52 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' CYS . 11.6 m-20 38.51 39.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -99.3 -176.15 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 35' ' ' LEU . 22.8 tp -112.35 115.85 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.34 155.87 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -78.41 177.82 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -80.14 10.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.65 -9.44 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -116.19 25.66 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.714 HH22 ' NE2' ' A' ' 59' ' ' GLN . 7.9 ptm180 -126.16 167.04 15.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.44 133.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.714 ' NE2' HH22 ' A' ' 57' ' ' ARG . 16.5 mm-40 -83.86 117.82 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -91.03 166.06 13.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' ASN . 15.6 t -73.71 -61.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' SER . 56.0 m-20 -34.17 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.53 32.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -133.68 -178.36 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.426 ' CZ2' ' C ' ' A' ' 44' ' ' THR . 23.7 p-90 -156.08 143.43 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 55.8 mtt180 -132.6 168.04 18.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -71.58 169.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.16 -39.94 80.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.547 ' CG2' ' NE ' ' A' ' 30' ' ' ARG . 83.0 t -67.48 -35.86 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.413 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.8 m -74.35 -66.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -55.43 -43.92 75.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.4 153.84 7.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.22 11.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 m -106.23 105.69 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -124.21 98.24 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.509 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 p -70.27 -61.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -175.0 174.16 2.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.18 141.82 3.23 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -171.0 159.06 5.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -169.32 171.14 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.97 138.33 2.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -126.39 149.13 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mp -101.57 147.69 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -137.58 124.95 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.3 mt -98.66 150.46 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -166.33 115.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.59 166.99 24.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -35.06 -53.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.96 79.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 144.63 30.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -157.1 142.61 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LYS . 29.8 ttt180 -34.89 139.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 -161.93 21.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.2 p -45.55 118.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.19 74.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -113.08 92.57 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -97.96 -46.56 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -67.72 108.9 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.34 162.6 23.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -115.16 93.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.477 ' N ' HD22 ' A' ' 51' ' ' LEU . 1.4 p -129.53 159.89 34.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.0 t -68.04 144.35 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -91.63 11.7 23.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CG ' HG12 ' A' ' 52' ' ' VAL . 13.3 mmp_? -129.84 -39.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -115.26 -12.76 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 53.08 46.09 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.36 162.46 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.5 p -73.11 102.79 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 51' ' ' LEU . 26.9 mt -80.16 39.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.32 -72.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -54.02 -36.14 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.473 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 21.3 mt -69.82 179.22 2.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -134.2 119.48 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -25.87 28.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.5 p -107.46 -22.82 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.473 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 67.1 m-20 -79.0 42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.8 m -114.04 115.15 27.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.437 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 20.7 t -59.94 113.1 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -60.56 -18.06 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.78 -64.33 2.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.7 p -105.58 20.55 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' CYS . 75.0 m-20 36.41 42.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -103.99 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 27' ' ' THR . 27.5 tp -110.63 116.52 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG12 ' CG ' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -141.38 147.87 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -67.67 176.28 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -81.68 13.28 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.77 -28.67 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.8 m -95.02 17.79 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -124.49 160.55 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -131.21 99.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.416 ' HA ' ' CB ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -58.03 145.03 37.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -113.1 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 t -95.81 -11.12 27.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.25 35.43 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.87 30.92 46.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.7 p -139.15 -177.29 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 111.138 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.5 p-90 -165.85 152.23 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 41.7 mtm180 -137.3 162.0 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.88 157.12 38.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 3.3 mtpm? -45.29 -45.61 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.3 -37.09 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 4.4 m -76.38 -64.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -60.79 -43.37 98.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.94 -149.51 0.85 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 96.05 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.1 p -56.37 -56.36 22.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -139.95 148.98 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -167.52 152.14 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -170.46 173.27 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.18 178.68 47.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -174.15 153.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -158.22 175.69 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.9 109.04 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -124.02 125.43 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.485 ' CD1' ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.13 -177.0 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -139.5 157.44 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -98.37 140.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -146.48 153.12 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -168.46 132.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 17.9 mttp -40.94 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.97 42.19 5.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.69 146.18 36.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 147.28 25.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 44.15 28.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.89 134.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -169.71 118.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.913 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -133.06 155.81 48.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 45.65 40.09 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CD2' ' O ' ' A' ' 23' ' ' TYR . 41.4 p90 -106.45 44.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -89.2 -55.42 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -164.83 174.39 10.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -128.81 100.26 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.52 139.27 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.2 t -47.29 156.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . -101.78 0.07 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' NE ' ' O ' ' A' ' 29' ' ' ALA . 4.8 mmp_? -122.15 -33.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.26 -8.18 9.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 2.7 mm-40 49.45 42.92 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -87.63 175.28 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 t -87.55 102.38 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mt -88.4 27.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.01 -57.37 13.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -66.64 -46.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 20.4 mt -63.51 160.55 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 m -95.87 109.21 45.23 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.11 30.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -63.25 -51.2 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.1 p -86.52 -18.67 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.409 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 71.5 m-20 -83.27 36.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.7 m -102.56 122.13 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.7 t -67.28 113.21 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -58.1 -22.35 50.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -64.17 3.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -111.28 19.33 18.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' CYS . 20.2 m-20 41.34 40.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -99.31 -177.01 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.9 tp -110.59 116.68 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.42 153.28 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -76.97 174.15 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -74.54 3.89 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -106.86 -17.94 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.0 m -108.03 27.18 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' CZ ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -133.16 169.18 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -135.3 117.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 57' ' ' ARG . 10.4 mm-40 -68.03 125.4 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -93.81 132.45 38.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -41.21 -48.73 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -47.95 -43.93 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.09 -34.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -72.77 -175.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 111.167 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.488 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 45.8 p-90 -158.04 159.85 36.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -145.9 168.49 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -71.24 170.26 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 2.8 mmmm -61.95 -32.54 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.4 t -75.42 -29.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 m -85.95 -61.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.404 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.7 m -69.17 -35.04 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.37 172.23 52.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.52 10.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -118.73 94.21 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -123.9 88.1 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.502 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -174.89 146.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -173.55 173.11 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.29 157.08 8.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.4 131.57 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -169.62 130.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.75 76.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.539 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tt -129.07 126.72 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -146.42 125.85 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -157.34 107.61 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.8 mt -116.65 152.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -170.58 132.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -173.56 140.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 5.0 ttpm? -101.91 94.83 6.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.11 81.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.05 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -146.51 143.52 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -94.83 93.02 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.06 -64.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -97.08 118.85 34.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.54 -63.07 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -44.15 135.42 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.78 -58.64 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.6 p -102.67 131.76 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -166.69 179.07 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -90.81 88.9 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.406 ' N ' HD21 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -119.28 133.64 55.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' GLN . 30.9 t -48.44 142.04 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -91.45 13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 4.2 mmm180 -128.93 -41.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -116.14 -14.36 11.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 71.8 mm-40 59.48 48.68 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.79 177.78 6.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 t -91.34 99.99 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.2 mt -81.84 33.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.49 -93.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -46.44 -39.27 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.9 mt -59.49 149.15 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -98.6 125.21 43.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' LYS . 53.4 Cg_endo -69.79 -50.73 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -36.83 -58.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.6 p -74.81 -30.83 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -82.26 38.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.8 m -112.66 109.5 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ASN . 8.4 t -57.96 110.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -60.98 -17.33 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.4 -62.7 4.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.7 1.71 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' CYS . 13.1 m120 57.78 42.09 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -105.96 -177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 49.1 tp -113.62 118.96 35.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.83 172.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -93.87 179.58 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -83.06 27.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -128.23 -28.69 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.3 m -99.05 21.43 11.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.641 ' NH2' ' CD1' ' A' ' 65' ' ' TRP . 11.7 ptm180 -117.78 167.61 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 68' ' ' LYS . 3.8 mp -133.38 122.95 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.05 124.39 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.78 157.5 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -43.53 -43.76 5.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -87.12 -174.97 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.13 44.52 2.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 p -134.35 166.18 23.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.641 ' CD1' ' NH2' ' A' ' 57' ' ' ARG . 57.6 p-90 -156.61 160.89 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -142.87 162.17 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.5 165.48 23.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -56.95 -39.18 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG22 ' NE ' ' A' ' 30' ' ' ARG . 61.3 t -65.43 -35.68 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.27 -63.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 58' ' ' ILE . 6.5 t -58.99 -42.11 89.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.67 -148.43 1.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 111.64 2.87 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.297 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 m -68.45 123.19 20.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -88.67 -57.08 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.513 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -165.15 161.26 19.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -172.6 175.01 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.23 132.12 2.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -162.21 144.46 11.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -162.7 172.14 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 160.83 79.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.2 mm? -115.05 82.01 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.44 103.25 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -136.76 108.83 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 12' ' ' LYS . 15.6 mt -101.15 142.81 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -155.44 135.64 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -175.78 140.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 14' ' ' LYS . 7.3 tmtt? -96.36 115.4 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.47 58.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.26 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.345 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -117.24 -59.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -137.8 132.89 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.71 82.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -91.47 173.86 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -59.46 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -74.74 115.52 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -120.47 78.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 p -134.15 120.33 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -143.55 153.02 42.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -127.13 98.23 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.433 ' C ' HD11 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -129.76 152.75 48.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.435 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -57.39 165.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -9.24 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -111.42 -36.5 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 22.7 p -118.29 -8.57 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.55 36.65 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' CG ' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -77.71 165.13 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 t -77.77 102.9 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.433 HD11 ' C ' ' A' ' 27' ' ' THR . 61.7 mt -80.93 36.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -68.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.38 -46.38 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.405 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 79.0 mt -59.4 -178.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -141.53 127.2 10.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 42' ' ' THR . 5.9 tptm -51.92 -69.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 4.7 t -97.96 -8.87 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 39' ' ' SER . 11.4 m-20 -79.2 43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 97.1 m -118.74 120.41 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.565 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 27.1 t -60.4 114.27 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -59.7 -18.69 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.58 -66.83 1.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.6 p -104.3 25.45 10.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' CYS . 82.2 m-20 33.46 40.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.48 170.85 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 35' ' ' LEU . 17.7 tp -101.44 116.82 33.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.51 155.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -76.55 178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 11.4 mtp-105 -80.02 13.16 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 -28.87 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.6 m -96.07 22.06 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -121.93 166.2 14.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 HD13 ' N ' ' A' ' 58' ' ' ILE . 4.5 mp -134.68 120.1 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.63 117.95 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' OE2' ' NH2' ' A' ' 66' ' ' ARG . 28.3 mt-10 -88.48 155.13 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -42.7 -46.81 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -79.83 -178.96 6.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.3 46.04 2.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.0 p -139.48 167.66 21.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.565 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 53.0 p-90 -154.17 163.95 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 52.9 mtm180 -145.51 167.89 21.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -74.82 168.89 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -54.65 -47.09 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.48 -41.49 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 3.1 m -69.17 -69.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.1 -42.5 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.3 163.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.78 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -86.92 146.09 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.0 p -75.02 96.35 3.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.522 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.03 170.1 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -173.14 173.59 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.76 171.68 44.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -168.73 171.27 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -172.78 170.31 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.49 -177.96 30.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 tp -173.61 144.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -167.08 153.15 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -160.35 144.74 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mt -116.37 137.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -145.15 149.94 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -159.35 -179.28 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -40.02 -64.22 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.91 75.35 0.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.17 120.91 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -38.74 -53.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -121.41 162.22 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.83 109.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -88.51 106.92 18.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -109.34 -43.52 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 9.4 p80 -79.69 44.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -49.57 -53.4 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 m -44.84 119.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.68 143.44 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -108.78 91.79 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -128.19 153.5 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 32.3 t -57.48 150.37 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -96.81 10.4 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 30' ' ' ARG . 3.7 mmm180 -128.73 -39.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.71 -11.19 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 28' ' ' CYS . 20.6 mm100 55.25 47.99 20.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -90.13 169.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -83.86 97.29 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 27' ' ' THR . 12.0 mt -83.82 31.21 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -45.11 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -45.68 -42.12 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.9 163.1 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -105.24 117.36 58.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -23.78 30.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -64.31 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -68.11 -20.38 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -89.86 49.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.553 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.1 m -116.55 118.57 32.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.562 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.5 t -63.67 112.58 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -58.59 -21.64 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.38 -64.92 3.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.04 17.27 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.0 m120 44.09 39.94 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -99.72 -174.77 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 29' ' ' ALA . 32.6 tp -113.03 123.88 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.36 167.59 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.29 178.91 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.489 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 1.1 ptm180 -84.15 21.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.0 -20.42 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.9 m -103.61 0.76 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 9.5 ptm180 -94.74 167.23 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.46 HD11 ' N ' ' A' ' 58' ' ' ILE . 4.3 mp -134.59 125.03 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -76.69 119.86 21.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -98.28 160.91 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' ASN . 37.4 t -70.94 -56.34 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' SER . 4.3 p30 -34.71 -39.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.22 11.2 2.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.8 p -118.63 -173.69 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 47.6 p-90 -151.73 156.64 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -148.09 164.26 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -73.25 154.12 40.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -42.85 -45.17 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 HG23 ' NE ' ' A' ' 30' ' ' ARG . 57.5 t -62.87 -36.41 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.98 -62.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 p -45.36 -38.05 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.48 -164.46 31.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.6 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -45.38 161.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -120.13 149.74 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.461 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.56 141.18 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.556 ' N ' HD11 ' A' ' 35' ' ' LEU . 12.2 t -41.68 159.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.93 -1.29 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HD3' HG23 ' A' ' 69' ' ' VAL . 12.7 mmp_? -119.21 -28.82 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.37 -8.77 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 50.62 49.51 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 27' ' ' THR . 26.0 mm-40 -89.63 171.15 9.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 p -80.69 96.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.706 HD13 HD11 ' A' ' 51' ' ' LEU . 10.6 mt -88.21 33.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.78 -68.02 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -56.05 -44.39 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.15 169.37 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -109.38 113.29 58.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.92 19.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -58.44 -41.34 84.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 p -93.5 -25.21 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.07 39.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -104.12 124.27 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.2 t -67.72 112.24 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -57.35 -19.87 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.37 -65.23 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 p -107.56 20.66 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' CYS . 45.4 m-80 37.86 40.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -99.39 -175.54 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -113.18 115.64 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.02 163.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -88.82 178.17 6.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.45 13.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -115.92 -25.0 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.4 m -101.27 21.11 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.91 167.32 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.8 mp -128.95 134.07 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -73.93 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.714 0.292 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -150.43 148.61 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.89 162.82 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -72.16 154.13 41.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HA ' HD11 ' A' ' 58' ' ' ILE . 31.4 mttt -44.03 -46.45 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG23 ' HD3' ' A' ' 30' ' ' ARG . 41.4 t -60.6 -31.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -86.12 -66.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.725 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.3 149.43 52.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.523 ' N ' HD11 ' A' ' 35' ' ' LEU . 22.3 t -52.97 154.9 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.07 43.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.82 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.1 mmm180 -124.51 -38.66 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.38 -5.15 11.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 48.86 36.96 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.743 ' O ' HG22 ' A' ' 27' ' ' THR . 25.0 mm-40 -78.27 172.62 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -84.7 99.39 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 51' ' ' LEU . 9.8 mt -83.94 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.07 -80.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -52.58 -56.91 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -49.07 148.44 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 123.41 57.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.74 29.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -58.69 -71.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 t -65.32 -24.56 67.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -83.82 44.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -113.92 113.61 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASN . 22.9 t -56.44 111.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -60.2 -16.33 32.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 -63.27 2.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.97 17.02 22.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' CYS . 9.6 m120 42.47 41.74 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -103.78 172.49 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 35' ' ' LEU . 22.7 tp -102.65 115.29 30.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.29 162.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 28.7 p -80.49 179.24 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -82.6 10.22 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.69 -32.62 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.2 m -88.28 10.98 17.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER -116.48 163.31 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 71' ' ' SER . 5.0 mp -130.18 118.79 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.83 127.27 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.43 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.3 p-90 -160.48 156.38 25.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -144.09 166.32 25.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.03 157.93 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' ILE . 36.1 mttt -48.52 -44.29 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' NE ' ' A' ' 30' ' ' ARG . 43.0 t -62.1 -33.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m -81.72 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 58' ' ' ILE . 9.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.882 0.373 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -133.66 146.18 50.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 14.0 t -46.24 162.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.5 -3.37 22.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HD3' HG23 ' A' ' 69' ' ' VAL . 1.5 mmp_? -121.52 -34.1 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 p -116.91 -7.43 11.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 29.7 mm-40 45.15 47.89 9.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 27' ' ' THR . 21.8 mt-10 -94.47 171.35 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -80.0 101.25 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 51' ' ' LEU . 7.5 mt -83.4 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.37 -80.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 24.6 ptt180 -46.28 -39.02 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 15.2 mt -71.96 171.96 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 70.7 m -114.66 121.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.3 Cg_endo -69.8 -42.42 3.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -45.38 -60.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -74.05 -24.95 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' SER . 72.2 m-20 -84.13 46.72 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.408 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 90.9 m -114.68 115.98 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 30.4 t -63.05 112.82 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -60.59 -17.33 45.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.18 -64.06 2.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.95 20.28 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' CYS . 7.4 m120 38.36 41.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -102.47 -177.25 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.865 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -112.11 112.12 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.74 144.69 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -64.47 177.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.66 12.36 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -113.58 -29.62 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -94.48 21.39 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NE ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -123.88 164.33 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.871 HD13 ' HB2' ' A' ' 71' ' ' SER . 5.1 mp -130.12 119.68 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.36 121.98 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 34.5 p-90 -157.01 149.42 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -133.62 165.07 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.98 161.85 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.616 ' HD2' HD11 ' A' ' 58' ' ' ILE . 16.3 mmmt -50.67 -44.01 57.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.549 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.1 t -63.82 -37.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.21 -69.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.871 ' HB2' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -130.08 149.86 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 52' ' ' VAL . 37.7 t -57.87 147.57 28.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.85 10.9 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HD2' HG23 ' A' ' 69' ' ' VAL . 10.0 mmt180 -131.36 -33.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -121.22 -12.5 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 54.65 47.17 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 27' ' ' THR . 8.7 mm-40 -89.6 173.35 8.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 p -88.77 96.14 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 51' ' ' LEU . 8.6 mt -82.3 38.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.7 -56.76 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -67.33 -51.13 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.92 170.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -109.53 117.06 53.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.46 12.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -53.62 -49.44 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -84.03 -28.05 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -81.14 39.82 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.4 m -104.98 121.11 43.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASN . 18.9 t -65.35 112.16 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -59.78 -17.84 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -64.63 2.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -107.16 19.8 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' CYS . 14.6 m-80 39.33 43.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.25 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 35' ' ' LEU . 25.6 tp -114.49 117.83 32.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.49 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -140.8 151.0 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 p -68.96 177.17 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -81.44 15.04 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 28.0 t70 -115.91 -35.28 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.35 18.86 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -123.91 168.83 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -132.75 126.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.4 ' HG3' ' NH1' ' A' ' 57' ' ' ARG . 36.6 mt-30 -79.83 99.94 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 19.9 p-90 -149.37 147.52 28.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -133.01 167.86 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 p -72.76 153.2 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 37.4 mttt -44.95 -43.01 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 30' ' ' ARG . 60.0 t -62.81 -35.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.3 -66.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 24.7 mmt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.03 156.03 42.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.96 159.3 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.82 0.67 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.709 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.3 mmm180 -118.29 -37.21 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.14 -11.27 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 56.65 38.73 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 27' ' ' THR . 15.8 mt-10 -81.57 169.85 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -83.67 104.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 51' ' ' LEU . 16.0 mt -87.26 34.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.26 -57.6 17.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -42.17 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.76 144.1 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -86.08 121.26 72.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 42' ' ' THR . 8.1 tmtt? -40.8 -56.42 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.471 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 8.1 t -75.27 -25.09 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -87.43 47.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -111.87 116.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASN . 16.0 t -61.73 112.72 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -58.94 -19.17 40.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.29 -65.25 2.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.3 p -106.4 20.53 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.2 m120 37.94 41.26 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -103.03 177.11 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 35' ' ' LEU . 25.0 tp -107.66 114.65 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.98 160.22 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -81.81 175.31 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -77.56 9.73 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -112.32 -27.57 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -97.56 16.44 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.549 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -120.18 168.34 11.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 57' ' ' ARG . 4.3 mp -133.83 128.3 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' OE1' ' NH2' ' A' ' 57' ' ' ARG . 8.9 mm100 -81.16 122.56 27.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 33.5 p-90 -157.72 145.0 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.84 163.81 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 p -71.7 158.99 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -47.07 -48.74 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.709 HG23 ' NE ' ' A' ' 30' ' ' ARG . 47.4 t -57.94 -38.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.2 m -75.69 -69.63 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.4 ' HB3' HD13 ' A' ' 58' ' ' ILE . 8.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.94 144.37 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -48.39 162.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.16 -4.19 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HD2' HG23 ' A' ' 69' ' ' VAL . 13.6 mmp_? -117.69 -36.25 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.12 -7.05 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.8 OUTLIER 48.38 39.02 11.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 27' ' ' THR . 42.1 mt-10 -80.72 172.38 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 p -83.2 101.96 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.852 HD13 HD11 ' A' ' 51' ' ' LEU . 10.3 mt -87.5 34.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.79 -63.71 5.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.447 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -61.5 -44.95 96.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.93 164.89 16.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -107.4 122.52 40.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -43.34 -57.52 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -74.49 -29.68 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -83.69 46.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -111.49 115.44 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.7 t -60.26 112.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -60.05 -17.79 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.46 -64.35 2.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 p -108.3 17.98 21.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.9 m120 42.87 41.02 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -102.64 176.52 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.852 HD11 HD13 ' A' ' 35' ' ' LEU . 18.7 tp -106.71 113.96 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.86 150.54 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 29.8 p -71.64 179.24 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -81.34 11.2 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.23 -24.56 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -99.43 21.65 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -129.86 169.18 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.976 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -128.31 126.08 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -78.51 103.21 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.755 0.312 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.414 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 31.9 p-90 -154.28 153.96 32.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -137.95 167.84 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -71.77 158.47 36.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HA ' HD11 ' A' ' 58' ' ' ILE . 6.5 mtpp -50.3 -39.72 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG23 ' HD2' ' A' ' 30' ' ' ARG . 57.7 t -65.89 -36.08 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.04 -67.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.976 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.961 0.41 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.99 148.2 52.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.3 t -48.3 164.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.2 -0.85 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.3 mmp_? -122.1 -32.09 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.94 -7.94 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 27.7 mm-40 50.91 44.32 28.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.817 ' O ' HG22 ' A' ' 27' ' ' THR . 23.0 mt-10 -81.81 175.03 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -89.16 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD21 ' A' ' 51' ' ' LEU . 17.4 mt -86.16 28.09 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.77 -63.53 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 37' ' ' ARG . 28.2 mtm105 -68.27 -37.72 80.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.4 143.38 50.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -85.52 123.8 72.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -39.94 -66.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -63.79 -28.36 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -85.45 45.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 93.1 m -112.61 118.75 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.8 t -62.93 112.33 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -58.8 -18.25 30.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.9 2.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.14 20.38 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' CYS . 33.3 m120 39.33 41.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -101.78 171.98 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 HD12 ' A' ' 35' ' ' LEU . 17.5 tp -103.64 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.02 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.2 p -88.37 179.29 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.98 23.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -125.19 -29.17 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.19 19.29 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 58' ' ' ILE . 12.6 ptm180 -112.49 171.11 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -135.14 119.33 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.21 118.41 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 26.5 p-90 -155.75 141.31 17.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 20.8 mtt180 -133.22 165.02 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.52 163.35 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' ILE . 7.5 mmmt -52.0 -40.7 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.9 t -63.03 -40.95 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.6 m -68.97 -69.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.936 0.398 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -124.94 161.33 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 36.5 t -66.73 155.11 38.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -99.41 8.75 44.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.837 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.4 mmm180 -128.12 -35.32 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.05 -9.78 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 54.18 41.27 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 27' ' ' THR . 26.9 mt-10 -82.62 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 t -90.67 98.95 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.789 HD13 HD11 ' A' ' 51' ' ' LEU . 6.2 mt -79.48 44.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ARG . . . -60.61 -92.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 2.1 tpm_? -37.45 -46.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.43 -179.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 m -125.86 115.66 24.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.9 Cg_endo -69.72 -16.4 37.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -67.81 -44.29 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.56 HG23 ' HD3' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -97.3 -6.09 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 79.6 m-20 -94.73 46.08 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -113.98 115.42 27.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' ASN . 6.1 t -63.29 113.1 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -56.04 -23.38 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' HE ' ' A' ' 66' ' ' ARG . . . -67.1 -65.15 2.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASN . 8.2 p -108.96 20.25 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' CYS . 32.2 m120 36.47 40.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -101.66 174.54 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.789 HD11 HD13 ' A' ' 35' ' ' LEU . 41.2 tp -100.99 118.98 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -141.11 160.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -82.17 174.54 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 8.52 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.77 -28.3 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.94 21.41 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.87 161.25 28.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -125.13 149.15 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -90.58 120.6 31.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.727 0.299 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 27.6 p-90 -155.96 148.67 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HE ' ' CA ' ' A' ' 47' ' ' GLY . 37.6 mtt180 -142.29 167.93 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.19 154.37 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 15.3 mtpt -45.06 -41.56 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' NE ' ' A' ' 30' ' ' ARG . 26.2 t -63.53 -39.1 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.7 m -73.17 -70.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 58' ' ' ILE . 38.7 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -131.23 155.56 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' SG ' HG12 ' A' ' 52' ' ' VAL . 15.0 t -58.97 161.21 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.75 0.48 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -123.31 -33.55 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 28.9 p -119.01 -9.39 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 53.72 34.72 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 27' ' ' THR . 11.4 mm-40 -72.75 167.81 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -84.92 98.34 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 51' ' ' LEU . 11.6 mt -83.14 33.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.95 -69.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 37' ' ' ARG . 1.3 tmt_? -61.6 -47.54 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 43' ' ' ASN . 46.0 mt -55.13 178.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -145.7 138.55 13.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.599 ' HB3' HD13 ' A' ' 51' ' ' LEU . 53.6 Cg_endo -69.76 -20.3 35.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -37.8 -66.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -100.1 -13.3 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 38' ' ' LEU . 17.8 m-20 -82.24 40.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.2 m -115.17 119.71 37.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 8.8 t -67.24 112.95 4.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -60.25 -19.93 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.71 -62.5 4.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.0 p -109.66 13.05 23.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.7 m120 46.6 43.36 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -107.86 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD11 HD13 ' A' ' 35' ' ' LEU . 21.1 tp -102.29 116.67 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -135.47 163.8 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.74 177.07 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' NE ' HD21 ' A' ' 38' ' ' LEU . 83.7 mtm180 -82.63 15.7 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.46 -35.64 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' LYS . 61.5 m -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 8.8 ptm180 -87.16 155.88 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.1 mp -127.73 128.49 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' NE2' HH22 ' A' ' 57' ' ' ARG . 8.4 mm-40 -74.85 114.69 13.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 35.6 p-90 -152.53 149.92 29.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 14.6 mtt85 -140.0 166.2 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -73.33 163.94 27.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' CYS . 18.3 mmtp -42.87 -53.14 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.53 -58.49 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 11.4 m -54.38 -64.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HE ' ' CG ' ' A' ' 40' ' ' PRO . 9.0 mmm180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.924 0.392 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.21 152.89 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 19.3 t -56.86 157.32 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -100.32 2.12 42.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 14.6 mmp_? -123.51 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.81 -6.79 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 39.4 mm-40 48.22 50.49 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 27' ' ' THR . 3.5 pt-20 -89.24 170.9 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -78.4 95.59 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 51' ' ' LEU . 20.9 mt -83.34 35.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.02 -92.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -45.03 -42.63 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD2' ' HE ' ' A' ' 54' ' ' ARG . 19.8 mt -52.02 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 14.7 m -104.61 98.97 16.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CG ' ' HE ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -36.56 10.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -53.42 -55.97 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -78.53 -24.25 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' SER . 49.6 m-20 -77.59 43.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.2 m -107.11 114.62 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.49 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.0 t -61.37 112.38 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -60.32 -21.4 61.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.92 -64.49 3.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.5 p -108.31 15.5 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' CYS . 28.1 m-80 44.83 42.64 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -105.55 -174.68 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 35' ' ' LEU . 33.2 tp -111.35 113.23 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.02 146.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.01 176.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 18.8 mtm105 -80.95 11.16 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.82 -30.53 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.2 -13.94 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 11.8 ptm180 -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.605 HD11 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mp -125.47 108.4 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -56.26 103.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.593 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 29.3 p-90 -150.91 150.89 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 43.6 mtt180 -137.99 164.96 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.01 158.51 35.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.605 ' CD ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -41.67 -50.61 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.39 -49.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 6.0 m -65.12 -72.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.414 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 61.5 mmt-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.45 147.84 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.6 t -54.58 162.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' NH2' ' A' ' 30' ' ' ARG . . . -102.55 -3.76 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.513 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.4 mmp_? -119.65 -34.43 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 32' ' ' GLN . 21.6 p -122.57 2.54 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 35.43 47.15 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 27' ' ' THR . 3.8 mm-40 -86.33 177.83 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 p -85.57 99.21 11.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.892 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -83.38 34.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.5 -81.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.6 -51.37 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.5 153.74 7.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 69.1 m -95.3 113.35 61.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -45.04 -52.35 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -79.4 -26.89 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 70.5 m-20 -80.29 40.84 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.409 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 92.7 m -104.62 121.12 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.4 t -66.48 111.81 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -58.88 -18.94 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.97 -61.13 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -110.49 16.55 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.0 m120 42.75 39.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -102.08 179.67 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.892 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -108.4 113.33 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.16 150.23 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.6 176.24 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 8.84 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -111.3 -22.57 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.3 m -101.76 23.83 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' CZ ' ' OE1' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -129.37 164.37 23.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -127.28 144.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 2.1 mp0 -77.32 130.09 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.334 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.1 p-90 -156.37 155.94 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -144.68 166.56 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -75.14 154.3 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 19.6 mtpt -44.52 -40.88 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 ' CD ' ' A' ' 30' ' ' ARG . 66.3 t -62.71 -42.69 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.41 -69.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.853 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.31 157.79 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.55 158.82 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.04 29.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.779 ' NH1' HG23 ' A' ' 69' ' ' VAL . 12.4 mmm-85 -118.55 -35.03 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -122.77 -10.78 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 54.69 52.44 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.861 ' O ' HG22 ' A' ' 27' ' ' THR . 33.8 mm-40 -92.75 175.52 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -83.69 98.68 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 51' ' ' LEU . 31.2 mt -83.24 33.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.19 -50.7 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -70.67 -41.6 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 54' ' ' ARG . 17.5 mt -76.55 169.2 18.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 49.4 m -98.86 101.55 12.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.71 -27.37 26.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -63.53 -49.97 71.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 39' ' ' SER . 10.0 t -86.59 -14.65 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 69.0 m-20 -84.14 48.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -106.23 118.73 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.9 t -64.36 112.78 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -58.09 -21.62 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.77 -65.43 2.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.34 21.32 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' CYS . 25.3 m120 37.78 42.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -105.67 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.79 HD11 HD13 ' A' ' 35' ' ' LEU . 28.4 tp -104.11 115.03 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -133.5 161.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.47 179.01 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.04 3.95 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.37 -30.21 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.5 m -91.37 20.54 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.41 171.61 8.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -134.63 109.67 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -65.59 113.68 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 28.6 p-90 -157.45 145.16 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -139.55 164.48 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -74.57 161.71 29.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.8 -34.88 55.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.779 HG23 ' NH1' ' A' ' 30' ' ' ARG . 94.0 t -69.49 -30.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.9 -63.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.89 ' HB3' HD13 ' A' ' 58' ' ' ILE . 29.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.52 138.26 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -43.16 160.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.56 2.44 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' CD ' HG23 ' A' ' 69' ' ' VAL . 10.2 mmp_? -124.53 -30.4 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -123.87 -9.48 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 54.01 35.66 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 27' ' ' THR . 20.1 mt-10 -71.21 179.74 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -96.66 98.79 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -84.8 42.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.33 -60.95 6.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -85.4 24.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.49 160.07 23.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -97.93 105.39 27.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -30.07 22.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -58.76 -53.5 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 p -81.42 -22.01 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -84.76 35.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.435 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.5 m -105.26 120.62 42.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.528 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 14.5 t -63.55 114.36 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -57.88 -21.42 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.14 2.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.5 p -106.8 25.26 11.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' CYS . 34.0 m120 33.52 36.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 12.1 m170 -95.0 177.95 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.946 HD11 HD13 ' A' ' 35' ' ' LEU . 21.0 tp -108.96 118.04 35.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.31 164.61 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.29 178.75 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -83.33 25.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -127.56 -30.36 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.7 m -93.84 11.67 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' ' 58' ' ' ILE . 7.7 ptm180 -111.12 165.77 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 68' ' ' LYS . 3.9 mp -128.07 124.5 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -76.38 118.81 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.4 p-90 -156.75 157.91 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -140.51 162.58 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.5 p -72.99 155.6 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HA ' HD11 ' A' ' 58' ' ' ILE . 12.6 mttm -47.93 -38.5 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' CD ' ' A' ' 30' ' ' ARG . 47.5 t -66.61 -36.83 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.24 -66.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.834 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -127.55 158.36 37.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.7 t -62.08 160.99 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.89 0.11 29.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.8 mmp_? -122.27 -35.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.42 -8.45 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 49.66 44.64 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.72 ' O ' HG22 ' A' ' 27' ' ' THR . 5.7 mt-10 -86.77 173.52 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 t -85.01 100.31 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 51' ' ' LEU . 23.7 mt -84.07 31.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.9 -76.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -53.78 -41.1 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 78.2 mt -68.36 151.15 47.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -92.73 116.19 66.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.8 36.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 42' ' ' THR . 14.2 tmtt? -69.21 -58.9 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 6.4 t -75.78 -19.84 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 77.8 m-20 -86.7 47.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 99.1 m -111.05 120.7 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 29.8 t -66.04 112.61 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -59.3 -17.95 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.88 -63.55 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.93 19.81 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.9 m120 38.11 44.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -105.46 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.751 HD11 HD13 ' A' ' 35' ' ' LEU . 31.1 tp -111.61 114.69 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.91 150.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 28.6 p -67.62 178.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -83.6 12.56 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -112.37 -36.49 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.9 m -77.02 -14.09 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -83.57 163.07 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.0 mp -130.03 104.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.09 114.93 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 27.8 p-90 -155.01 144.75 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 45.3 mtm180 -133.36 165.4 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -76.53 159.62 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -39.56 -52.88 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG23 ' CD ' ' A' ' 30' ' ' ARG . 58.9 t -55.93 -56.3 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 7.2 m -57.39 -71.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 1.004 ' HB3' HD13 ' A' ' 58' ' ' ILE . 17.7 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.66 142.25 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -47.88 160.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -101.21 -4.68 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.931 ' NE ' HG23 ' A' ' 69' ' ' VAL . 1.4 mmm180 -119.81 -38.32 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' GLN . 31.0 p -118.68 5.5 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 32.49 54.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 27' ' ' THR . 4.9 pt-20 -88.45 -175.65 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -92.95 95.36 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 HD11 ' A' ' 51' ' ' LEU . 5.5 mt -85.95 30.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.77 -55.22 21.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -72.53 -59.59 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.9 mt -45.18 160.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 72.9 m -102.43 116.82 62.31 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.0 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -46.16 -49.49 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -84.16 -26.93 28.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.436 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 72.3 m-20 -82.55 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 87.3 m -104.22 121.13 42.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.6 t -68.44 113.75 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -57.0 -23.5 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.14 -65.46 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 p -108.8 19.52 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' CYS . 11.6 m-20 38.51 39.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -99.3 -176.15 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 HD13 ' A' ' 35' ' ' LEU . 22.8 tp -112.35 115.85 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.34 155.87 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -78.41 177.82 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -80.14 10.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.65 -9.44 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -116.19 25.66 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 7.9 ptm180 -126.16 167.04 15.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.523 HD11 ' HD2' ' A' ' 68' ' ' LYS . 4.3 mp -130.44 133.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.86 117.82 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.812 0.339 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 23.7 p-90 -156.08 143.43 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 55.8 mtt180 -132.6 168.04 18.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -71.58 169.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 58' ' ' ILE . 3.9 mmmm -58.16 -39.94 80.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.931 HG23 ' NE ' ' A' ' 30' ' ' ARG . 83.0 t -67.48 -35.86 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.8 m -74.35 -66.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.52 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -129.53 159.89 34.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' HG12 ' A' ' 52' ' ' VAL . 40.0 t -68.04 144.35 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -91.63 11.7 23.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 13.3 mmp_? -129.84 -39.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -115.26 -12.76 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 53.08 46.09 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.36 162.46 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.5 p -73.11 102.79 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.88 HD13 HD11 ' A' ' 51' ' ' LEU . 26.9 mt -80.16 39.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.32 -72.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -54.02 -36.14 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.82 179.22 2.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -134.2 119.48 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.5 Cg_endo -69.76 -25.87 28.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.5 p -107.46 -22.82 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 3.8 m120 -79.0 42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.8 m -114.04 115.15 27.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.437 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 20.7 t -59.94 113.1 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -60.56 -18.06 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.78 -64.33 2.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.7 p -105.58 20.55 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' CYS . 75.0 m-20 36.41 42.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -103.99 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.88 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -110.63 116.52 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.46 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -141.38 147.87 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -67.67 176.28 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -81.68 13.28 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.77 -28.67 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.8 m -95.02 17.79 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -124.49 160.55 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -131.21 99.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 65' ' ' TRP . 1.7 pm0 -58.03 145.03 37.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.775 0.322 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.5 p-90 -165.85 152.23 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 41.7 mtm180 -137.3 162.0 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.88 157.12 38.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 3.3 mtpm? -45.29 -45.61 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.3 -37.09 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 4.4 m -76.38 -64.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.8 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.52 139.27 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 12.2 t -47.29 156.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . -101.78 0.07 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' NH1' HG21 ' A' ' 69' ' ' VAL . 4.8 mmp_? -122.15 -33.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 27.2 p -120.26 -8.18 9.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 2.7 mm-40 49.45 42.92 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' THR . 19.8 mm-40 -87.63 175.28 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 t -87.55 102.38 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.863 HD13 HD11 ' A' ' 51' ' ' LEU . 5.1 mt -88.4 27.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.01 -57.37 13.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -66.64 -46.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 20.4 mt -63.51 160.55 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 m -95.87 109.21 45.23 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.11 30.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -63.25 -51.2 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.1 p -86.52 -18.67 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 71.5 m-20 -83.27 36.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.7 m -102.56 122.13 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.7 t -67.28 113.21 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -58.1 -22.35 50.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -64.17 3.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -111.28 19.33 18.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' CYS . 20.2 m-20 41.34 40.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -99.31 -177.01 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.863 HD11 HD13 ' A' ' 35' ' ' LEU . 25.9 tp -110.59 116.68 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.42 153.28 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -76.97 174.15 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -74.54 3.89 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -106.86 -17.94 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.403 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 92.0 m -108.03 27.18 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -133.16 169.18 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.802 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.9 mp -135.3 117.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 57' ' ' ARG . 10.4 mm-40 -68.03 125.4 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.712 0.292 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 45.8 p-90 -158.04 159.85 36.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -145.9 168.49 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -71.24 170.26 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HD11 ' A' ' 58' ' ' ILE . 2.8 mmmm -61.95 -32.54 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' NH1' ' A' ' 30' ' ' ARG . 66.4 t -75.42 -29.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 m -85.95 -61.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.802 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.621 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.92 0.391 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.28 133.64 55.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 30.9 t -48.44 142.04 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -91.45 13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.763 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmm180 -128.93 -41.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -116.14 -14.36 11.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 71.8 mm-40 59.48 48.68 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.79 177.78 6.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 t -91.34 99.99 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 26' ' ' ARG . 8.2 mt -81.84 33.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.49 -93.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -46.44 -39.27 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD21 ' NE ' ' A' ' 54' ' ' ARG . 16.9 mt -59.49 149.15 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -98.6 125.21 43.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' HG3' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.79 -50.73 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -36.83 -58.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.6 p -74.81 -30.83 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -82.26 38.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.8 m -112.66 109.5 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ASN . 8.4 t -57.96 110.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -60.98 -17.33 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.4 -62.7 4.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.7 1.71 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' CYS . 13.1 m120 57.78 42.09 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -105.96 -177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 49.1 tp -113.62 118.96 35.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -137.83 172.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -93.87 179.58 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' NE ' HD21 ' A' ' 38' ' ' LEU . 71.4 mtm180 -83.06 27.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -128.23 -28.69 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.3 m -99.05 21.43 11.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.641 ' NH2' ' CD1' ' A' ' 65' ' ' TRP . 11.7 ptm180 -117.78 167.61 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.904 HD13 ' HB3' ' A' ' 71' ' ' SER . 3.8 mp -133.38 122.95 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.05 124.39 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.641 ' CD1' ' NH2' ' A' ' 57' ' ' ARG . 57.6 p-90 -156.61 160.89 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -142.87 162.17 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.5 165.48 23.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -56.95 -39.18 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.763 HG23 ' NE ' ' A' ' 30' ' ' ARG . 61.3 t -65.43 -35.68 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.27 -63.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.904 ' HB3' HD13 ' A' ' 58' ' ' ILE . 6.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.76 152.75 48.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -57.39 165.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -9.24 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -111.42 -36.5 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 22.7 p -118.29 -8.57 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 1.0 OUTLIER 50.55 36.65 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 27' ' ' THR . 5.4 mm-40 -77.71 165.13 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 t -77.77 102.9 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.891 HD13 HD11 ' A' ' 51' ' ' LEU . 61.7 mt -80.93 36.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -68.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.38 -46.38 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 35' ' ' LEU . 79.0 mt -59.4 -178.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -141.53 127.2 10.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' THR . 5.9 tptm -51.92 -69.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 4.7 t -97.96 -8.87 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 39' ' ' SER . 11.4 m-20 -79.2 43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.411 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 97.1 m -118.74 120.41 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 27.1 t -60.4 114.27 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -59.7 -18.69 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.58 -66.83 1.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.6 p -104.3 25.45 10.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' CYS . 82.2 m-20 33.46 40.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.48 170.85 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.891 HD11 HD13 ' A' ' 35' ' ' LEU . 17.7 tp -101.44 116.82 33.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.51 155.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -76.55 178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 11.4 mtp-105 -80.02 13.16 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 -28.87 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.6 m -96.07 22.06 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' C ' HD12 ' A' ' 58' ' ' ILE . 11.0 ptm180 -121.93 166.2 14.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.5 mp -134.68 120.1 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.63 117.95 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' OE2' ' NH2' ' A' ' 66' ' ' ARG . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 53.0 p-90 -154.17 163.95 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 52.9 mtm180 -145.51 167.89 21.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -74.82 168.89 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 58' ' ' ILE . 4.3 mmmm -54.65 -47.09 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.48 -41.49 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 3.1 m -69.17 -69.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.449 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 12.8 mmt85 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -128.19 153.5 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 32.3 t -57.48 150.37 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -96.81 10.4 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.863 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.7 mmm180 -128.73 -39.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.71 -11.19 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 28' ' ' CYS . 20.6 mm100 55.25 47.99 20.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 27' ' ' THR . 15.1 mm-40 -90.13 169.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -83.86 97.29 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 51' ' ' LEU . 12.0 mt -83.82 31.21 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -45.11 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -45.68 -42.12 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.9 163.1 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -105.24 117.36 58.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.71 -23.78 30.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -64.31 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -68.11 -20.38 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -89.86 49.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.553 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.1 m -116.55 118.57 32.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.5 t -63.67 112.58 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -58.59 -21.64 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.38 -64.92 3.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.04 17.27 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.0 m120 44.09 39.94 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -99.72 -174.77 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 35' ' ' LEU . 32.6 tp -113.03 123.88 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.36 167.59 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.29 178.91 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 1.1 ptm180 -84.15 21.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.0 -20.42 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.9 m -103.61 0.76 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.555 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 9.5 ptm180 -94.74 167.23 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.3 mp -134.59 125.03 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -76.69 119.86 21.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 47.6 p-90 -151.73 156.64 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -148.09 164.26 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -73.25 154.12 40.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -42.85 -45.17 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.863 HG23 ' NE ' ' A' ' 30' ' ' ARG . 57.5 t -62.87 -36.41 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.98 -62.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 001 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 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -174.15 157.22 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -166.54 167.8 15.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.77 140.15 3.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 161.96 40.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -160.13 176.74 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.48 139.58 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.8 pt? -169.65 153.19 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 mt -130.52 160.09 35.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -134.75 112.24 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.8 mt -97.35 134.44 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -151.22 110.7 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -123.77 173.98 7.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HE3' ' CE1' ' A' ' 23' ' ' TYR . 16.1 ttmm -36.49 -46.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.08 -59.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 140.33 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -55.34 164.92 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -61.77 90.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.52 74.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -110.8 101.07 9.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.49 125.77 29.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 m170 67.66 48.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 67.6 t80 -84.07 38.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.6 p -144.76 138.35 27.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -127.01 161.59 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -124.2 98.71 5.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.56 141.18 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.556 ' N ' HD11 ' A' ' 35' ' ' LEU . 12.2 t -41.68 159.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.93 -1.29 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HD3' HG23 ' A' ' 69' ' ' VAL . 12.7 mmp_? -119.21 -28.82 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.37 -8.77 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 50.62 49.51 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 27' ' ' THR . 26.0 mm-40 -89.63 171.15 9.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 p -80.69 96.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.706 HD13 HD11 ' A' ' 51' ' ' LEU . 10.6 mt -88.21 33.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.78 -68.02 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -56.05 -44.39 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.8 mt -62.15 169.37 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -109.38 113.29 58.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.92 19.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -58.44 -41.34 84.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 p -93.5 -25.21 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.07 39.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -104.12 124.27 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.2 t -67.72 112.24 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -57.35 -19.87 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.37 -65.23 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 p -107.56 20.66 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' CYS . 45.4 m-80 37.86 40.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -99.39 -175.54 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -113.18 115.64 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.02 163.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -88.82 178.17 6.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.45 13.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -115.92 -25.0 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.4 m -101.27 21.11 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.91 167.32 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.8 mp -128.95 134.07 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -73.93 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -124.89 178.36 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.6 m -72.41 -175.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 47.53 25.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.64 38.58 91.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -116.41 157.03 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.177 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -150.43 148.61 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.89 162.82 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -72.16 154.13 41.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HA ' HD11 ' A' ' 58' ' ' ILE . 31.4 mttt -44.03 -46.45 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG23 ' HD3' ' A' ' 30' ' ' ARG . 41.4 t -60.6 -31.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -86.12 -66.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.725 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.1 m -62.56 -37.68 87.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -67.52 -156.3 0.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.55 24.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.4 m -68.81 151.87 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -143.67 129.13 19.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.442 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -147.42 152.67 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -169.32 169.49 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.55 166.87 23.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -161.04 147.01 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -166.92 161.84 15.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -174.3 135.8 3.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.2 mp -118.94 171.41 8.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -128.23 171.61 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -137.44 133.59 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.8 mm -112.16 131.13 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.83 133.58 22.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.81 170.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -50.36 127.97 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.88 128.08 8.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 166.62 10.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -150.8 156.62 41.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 135.49 35.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.75 -99.9 2.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t 38.56 43.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 110.848 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -49.97 -53.91 23.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -111.68 177.87 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -122.46 -47.93 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 t -55.77 119.13 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -159.2 154.66 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -106.97 91.03 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.3 149.43 52.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' N ' HD11 ' A' ' 35' ' ' LEU . 22.3 t -52.97 154.9 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.07 43.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.82 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.1 mmm180 -124.51 -38.66 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.38 -5.15 11.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 48.86 36.96 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.743 ' O ' HG22 ' A' ' 27' ' ' THR . 25.0 mm-40 -78.27 172.62 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -84.7 99.39 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 51' ' ' LEU . 9.8 mt -83.94 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.07 -80.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -52.58 -56.91 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -49.07 148.44 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 123.41 57.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.74 29.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -58.69 -71.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 t -65.32 -24.56 67.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -83.82 44.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -113.92 113.61 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASN . 22.9 t -56.44 111.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -60.2 -16.33 32.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 -63.27 2.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.97 17.02 22.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' CYS . 9.6 m120 42.47 41.74 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -103.78 172.49 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 35' ' ' LEU . 22.7 tp -102.65 115.29 30.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.29 162.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 28.7 p -80.49 179.24 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -82.6 10.22 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.69 -32.62 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.2 m -88.28 10.98 17.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER -116.48 163.31 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 71' ' ' SER . 5.0 mp -130.18 118.79 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.83 127.27 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLY . 10.0 mt-10 -94.8 129.93 41.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' GLU . 37.9 p -36.66 -47.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.44 -45.64 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 149.44 -38.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.0 p -65.6 -175.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.43 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.3 p-90 -160.48 156.38 25.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -144.09 166.32 25.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.03 157.93 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' ILE . 36.1 mttt -48.52 -44.29 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' NE ' ' A' ' 30' ' ' ARG . 43.0 t -62.1 -33.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m -81.72 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 58' ' ' ILE . 9.6 t -56.11 -41.81 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.88 143.5 16.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.9 p -170.63 149.48 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -51.97 -54.83 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.437 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -174.98 170.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -171.87 174.39 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.66 160.55 12.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -173.46 159.55 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -165.46 175.17 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.48 114.18 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -140.86 119.98 12.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.882 0.372 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.23 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -156.49 129.81 8.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mt -120.78 131.16 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.39 144.42 30.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -165.93 172.3 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -103.98 -67.95 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 175.65 111.7 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.83 105.92 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -102.39 -44.08 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -127.88 -45.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.45 -105.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -48.86 149.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -121.64 53.43 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -72.05 87.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -93.83 22.78 5.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.8 m -59.11 98.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 11.4 p30 -123.62 168.49 12.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -118.19 94.97 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -133.66 146.18 50.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 14.0 t -46.24 162.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.5 -3.37 22.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HD3' HG23 ' A' ' 69' ' ' VAL . 1.5 mmp_? -121.52 -34.1 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 p -116.91 -7.43 11.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 29.7 mm-40 45.15 47.89 9.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 27' ' ' THR . 21.8 mt-10 -94.47 171.35 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -80.0 101.25 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 51' ' ' LEU . 7.5 mt -83.4 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.37 -80.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 24.6 ptt180 -46.28 -39.02 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 15.2 mt -71.96 171.96 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 70.7 m -114.66 121.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.3 Cg_endo -69.8 -42.42 3.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -45.38 -60.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -74.05 -24.95 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' SER . 72.2 m-20 -84.13 46.72 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.408 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 90.9 m -114.68 115.98 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 30.4 t -63.05 112.82 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -60.59 -17.33 45.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.18 -64.06 2.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.95 20.28 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' CYS . 7.4 m120 38.36 41.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.47 -177.25 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.865 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -112.11 112.12 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.74 144.69 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -64.47 177.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.66 12.36 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -113.58 -29.62 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -94.48 21.39 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NE ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -123.88 164.33 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.871 HD13 ' HB2' ' A' ' 71' ' ' SER . 5.1 mp -130.12 119.68 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.36 121.98 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' SER . 9.6 mt-10 -92.46 129.87 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.7 t -37.02 -47.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' OD1' ' C ' ' A' ' 62' ' ' ASN . 6.9 t-20 -48.92 -54.78 14.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.66 -33.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -73.36 179.4 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 34.5 p-90 -157.01 149.42 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -133.62 165.07 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.98 161.85 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.616 ' HD2' HD11 ' A' ' 58' ' ' ILE . 16.3 mmmt -50.67 -44.01 57.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.549 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.1 t -63.82 -37.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.21 -69.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.871 ' HB2' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -58.51 -41.34 85.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -50.58 143.64 12.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.26 33.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -97.18 99.42 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.1 t -113.59 102.71 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -161.97 172.47 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -172.13 174.46 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 -174.75 37.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -147.55 176.89 9.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -124.23 -62.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.31 147.77 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 tt -138.81 127.44 23.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.538 ' O ' HD23 ' A' ' 8' ' ' LEU . 4.8 mp -94.1 177.16 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -143.06 133.11 24.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mm -91.9 138.17 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.86 129.95 22.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.1 174.29 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -59.98 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.38 -164.14 21.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 20' ' ' SER . . . -52.8 162.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.03 176.23 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.957 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LYS . 22.5 mmm180 -31.19 130.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 -99.41 0.73 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 60.2 p -80.07 121.51 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -126.84 109.7 12.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -87.79 79.79 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 34.8 t80 -110.77 167.32 10.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' TYR . 31.9 m -37.54 148.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -174.75 172.49 2.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -114.68 93.46 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -130.08 149.86 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 52' ' ' VAL . 37.7 t -57.87 147.57 28.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.85 10.9 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HD2' HG23 ' A' ' 69' ' ' VAL . 10.0 mmt180 -131.36 -33.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -121.22 -12.5 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 54.65 47.17 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 27' ' ' THR . 8.7 mm-40 -89.6 173.35 8.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 p -88.77 96.14 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 51' ' ' LEU . 8.6 mt -82.3 38.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.7 -56.76 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -67.33 -51.13 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.92 170.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -109.53 117.06 53.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.46 12.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -53.62 -49.44 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -84.03 -28.05 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -81.14 39.82 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.4 m -104.98 121.11 43.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASN . 18.9 t -65.35 112.16 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -59.78 -17.84 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -64.63 2.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -107.16 19.8 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' CYS . 14.6 m-80 39.33 43.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.25 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 35' ' ' LEU . 25.6 tp -114.49 117.83 32.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.49 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -140.8 151.0 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 p -68.96 177.17 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -81.44 15.04 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 28.0 t70 -115.91 -35.28 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.35 18.86 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -123.91 168.83 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -132.75 126.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' HG3' ' NH1' ' A' ' 57' ' ' ARG . 36.6 mt-30 -79.83 99.94 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' SER . 24.9 mt-10 -67.14 154.99 39.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.9 m -37.18 -57.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -69.56 -175.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 45.73 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.3 p -136.47 155.62 49.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 19.9 p-90 -149.37 147.52 28.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -133.01 167.86 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 p -72.76 153.2 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 37.4 mttt -44.95 -43.01 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 30' ' ' ARG . 60.0 t -62.81 -35.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.3 -66.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -40.63 77.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -73.48 -148.01 1.08 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 54.1 Cg_endo -69.73 148.25 64.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.1 t -121.48 152.32 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -126.35 133.61 51.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.516 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -174.62 161.85 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -163.26 177.0 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 -165.82 15.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -172.88 165.14 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -164.39 170.89 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.74 124.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -134.25 140.45 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 11' ' ' ILE . 4.2 pp -159.38 159.84 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.14 121.98 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 9' ' ' LEU . 34.7 mm -104.67 145.43 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -144.92 108.78 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -146.7 163.4 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -115.65 151.6 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.31 -132.74 1.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.26 89.09 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.03 56.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 53.81 44.94 28.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.38 141.92 9.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.37 166.52 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -95.37 -47.09 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -44.81 -58.56 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -108.88 113.89 27.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -130.22 81.38 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -94.86 145.66 24.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 24.7 mmt180 -114.09 94.42 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.03 156.03 42.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.96 159.3 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.82 0.67 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.709 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.3 mmm180 -118.29 -37.21 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.14 -11.27 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 56.65 38.73 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 27' ' ' THR . 15.8 mt-10 -81.57 169.85 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -83.67 104.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 51' ' ' LEU . 16.0 mt -87.26 34.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.26 -57.6 17.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -42.17 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.76 144.1 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -86.08 121.26 72.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 42' ' ' THR . 8.1 tmtt? -40.8 -56.42 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.471 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 8.1 t -75.27 -25.09 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -87.43 47.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -111.87 116.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASN . 16.0 t -61.73 112.72 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -58.94 -19.17 40.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.29 -65.25 2.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.3 p -106.4 20.53 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.2 m120 37.94 41.26 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -103.03 177.11 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 35' ' ' LEU . 25.0 tp -107.66 114.65 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.98 160.22 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -81.81 175.31 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -77.56 9.73 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -112.32 -27.57 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -97.56 16.44 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.549 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -120.18 168.34 11.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 57' ' ' ARG . 4.3 mp -133.83 128.3 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' OE1' ' NH2' ' A' ' 57' ' ' ARG . 8.9 mm100 -81.16 122.56 27.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.78 139.5 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -41.7 -57.81 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 64' ' ' THR . 5.8 p30 -43.72 -35.93 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.5 -35.39 2.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 62' ' ' ASN . 81.3 p -63.18 178.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 33.5 p-90 -157.72 145.0 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.84 163.81 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 p -71.7 158.99 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -47.07 -48.74 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.709 HG23 ' NE ' ' A' ' 30' ' ' ARG . 47.4 t -57.94 -38.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.2 m -75.69 -69.63 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.4 ' HB3' HD13 ' A' ' 58' ' ' ILE . 8.2 t -54.07 -43.6 70.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.44 -165.93 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.48 12.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m -116.02 164.32 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.5 t -104.28 159.02 16.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -174.33 169.1 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -108.73 81.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.17 -159.19 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -151.63 162.52 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -152.8 160.43 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.62 115.16 1.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.7 76.04 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.671 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -37.76 153.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.57 77.53 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mt -102.82 141.41 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -174.25 146.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -63.29 -46.49 86.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.75 -179.5 45.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -81.85 163.62 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' ALA . 4.4 ptpt 31.87 51.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtt-85 -115.47 162.46 17.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.74 123.59 5.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 t -74.2 -60.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -58.86 172.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 46.22 48.28 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.98 -46.31 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 p -76.02 90.02 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.63 165.02 28.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -112.54 93.01 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.94 144.37 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -48.39 162.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.16 -4.19 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HD2' HG23 ' A' ' 69' ' ' VAL . 13.6 mmp_? -117.69 -36.25 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.12 -7.05 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.8 OUTLIER 48.38 39.02 11.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 27' ' ' THR . 42.1 mt-10 -80.72 172.38 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 p -83.2 101.96 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.852 HD13 HD11 ' A' ' 51' ' ' LEU . 10.3 mt -87.5 34.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.79 -63.71 5.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.447 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -61.5 -44.95 96.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.93 164.89 16.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -107.4 122.52 40.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -43.34 -57.52 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -74.49 -29.68 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -83.69 46.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -111.49 115.44 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.7 t -60.26 112.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -60.05 -17.79 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.46 -64.35 2.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 p -108.3 17.98 21.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.9 m120 42.87 41.02 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -102.64 176.52 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.852 HD11 HD13 ' A' ' 35' ' ' LEU . 18.7 tp -106.71 113.96 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.86 150.54 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 29.8 p -71.64 179.24 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -81.34 11.2 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.23 -24.56 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -99.43 21.65 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -129.86 169.18 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.976 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -128.31 126.08 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -78.51 103.21 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 13.5 mm-40 -77.22 151.95 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' GLU . 28.8 t -37.02 -61.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -65.67 -178.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.77 48.93 3.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -139.58 158.7 43.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.174 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.414 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 31.9 p-90 -154.28 153.96 32.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -137.95 167.84 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -71.77 158.47 36.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HA ' HD11 ' A' ' 58' ' ' ILE . 6.5 mtpp -50.3 -39.72 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG23 ' HD2' ' A' ' 30' ' ' ARG . 57.7 t -65.89 -36.08 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.04 -67.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.976 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.5 t -59.83 -38.92 83.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.71 141.9 46.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.79 1.58 4.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 73' ' ' PRO . 73.5 m -32.47 -68.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.5 p -67.05 98.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.508 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m -157.46 174.12 15.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -164.77 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.31 -166.19 20.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -167.51 169.7 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -171.94 175.6 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.47 27.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tt -142.51 129.7 20.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.354 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -145.27 168.62 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -163.87 157.84 19.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 12' ' ' LYS . 5.1 mp -91.76 153.24 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -167.27 130.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -166.46 163.7 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 71.2 mttt -36.43 -48.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.69 120.53 22.79 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -92.76 165.22 13.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' ALA . 29.8 mtmm -36.56 -55.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -107.82 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.77 72.73 0.69 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -40.95 -60.88 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.64 166.27 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -99.69 -57.07 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -168.79 176.88 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -37.79 150.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -155.83 166.47 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -117.82 96.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.99 148.2 52.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.3 t -48.3 164.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.2 -0.85 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.3 mmp_? -122.1 -32.09 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.94 -7.94 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 27.7 mm-40 50.91 44.32 28.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.817 ' O ' HG22 ' A' ' 27' ' ' THR . 23.0 mt-10 -81.81 175.03 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -89.16 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD21 ' A' ' 51' ' ' LEU . 17.4 mt -86.16 28.09 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.77 -63.53 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 28.2 mtm105 -68.27 -37.72 80.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.4 143.38 50.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -85.52 123.8 72.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -39.94 -66.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -63.79 -28.36 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -85.45 45.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 93.1 m -112.61 118.75 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.8 t -62.93 112.33 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -58.8 -18.25 30.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.9 2.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.14 20.38 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' CYS . 33.3 m120 39.33 41.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -101.78 171.98 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 HD12 ' A' ' 35' ' ' LEU . 17.5 tp -103.64 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.02 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.2 p -88.37 179.29 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.98 23.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -125.19 -29.17 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.19 19.29 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 58' ' ' ILE . 12.6 ptm180 -112.49 171.11 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -135.14 119.33 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -74.21 118.41 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.61 147.45 24.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 62' ' ' ASN . 50.2 m -63.41 -55.74 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 61' ' ' SER . 23.8 t30 -33.27 -63.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.8 33.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.5 p -142.42 -176.25 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 26.5 p-90 -155.75 141.31 17.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 20.8 mtt180 -133.22 165.02 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.52 163.35 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' ILE . 7.5 mmmt -52.0 -40.7 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.9 t -63.03 -40.95 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.6 m -68.97 -69.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -42.13 70.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.19 161.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.6 Cg_endo -69.72 -1.46 8.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' PRO . 2.6 t -33.83 143.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -71.0 119.43 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.453 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -173.39 141.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -119.31 172.94 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.88 169.51 42.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -162.42 171.44 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -164.32 175.63 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.36 -177.75 15.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 tp -158.27 140.2 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.1 138.16 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.6 163.42 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.3 mt -115.36 147.44 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.01 116.4 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.32 157.51 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -63.94 136.53 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -90.4 -85.45 1.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 21' ' ' GLN . . . 74.59 36.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ARG . 20.0 tptp -91.42 -38.74 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' LYS . 20.8 tpt180 -35.13 -49.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.68 -142.27 3.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -43.84 110.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.657 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 77.3 mt-30 -47.99 -52.34 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -77.29 83.22 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 24' ' ' SER . 18.5 p90 -47.9 -52.07 20.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 3.5 m -41.51 119.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -121.45 163.38 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -119.26 96.53 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -124.94 161.33 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 36.5 t -66.73 155.11 38.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -99.41 8.75 44.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.837 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.4 mmm180 -128.12 -35.32 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.05 -9.78 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 54.18 41.27 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 27' ' ' THR . 26.9 mt-10 -82.62 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 t -90.67 98.95 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.789 HD13 HD11 ' A' ' 51' ' ' LEU . 6.2 mt -79.48 44.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ARG . . . -60.61 -92.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 2.1 tpm_? -37.45 -46.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.43 -179.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 m -125.86 115.66 24.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.9 Cg_endo -69.72 -16.4 37.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -67.81 -44.29 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.56 HG23 ' HD3' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -97.3 -6.09 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 79.6 m-20 -94.73 46.08 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -113.98 115.42 27.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' ASN . 6.1 t -63.29 113.1 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -56.04 -23.38 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' HE ' ' A' ' 66' ' ' ARG . . . -67.1 -65.15 2.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASN . 8.2 p -108.96 20.25 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' CYS . 32.2 m120 36.47 40.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -101.66 174.54 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.789 HD11 HD13 ' A' ' 35' ' ' LEU . 41.2 tp -100.99 118.98 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -141.11 160.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -82.17 174.54 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 8.52 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.77 -28.3 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.94 21.41 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.87 161.25 28.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -125.13 149.15 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -90.58 120.6 31.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -92.21 175.43 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.5 t -84.02 -28.88 27.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.878 ' O ' HG23 ' A' ' 64' ' ' THR . 2.6 m120 -85.49 47.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 42.76 30.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 62' ' ' ASN . 82.8 p -121.56 175.47 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 111.159 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 27.6 p-90 -155.96 148.67 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HE ' ' CA ' ' A' ' 47' ' ' GLY . 37.6 mtt180 -142.29 167.93 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.19 154.37 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 15.3 mtpt -45.06 -41.56 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' NE ' ' A' ' 30' ' ' ARG . 26.2 t -63.53 -39.1 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.7 m -73.17 -70.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 58' ' ' ILE . 38.7 t -56.35 -41.47 76.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.82 157.49 30.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.06 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -115.51 144.99 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.4 p -44.06 111.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -172.14 156.32 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -162.44 176.29 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.95 -146.01 15.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t 71.5 42.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -107.81 175.14 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.7 124.23 2.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -154.05 108.82 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -172.95 157.7 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 21.6 tp10 -165.29 151.89 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.462 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 4.7 mp -94.99 150.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 106.81 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -156.39 146.66 21.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -98.37 44.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.08 -175.53 24.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.5 170.85 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -54.93 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -86.93 111.93 21.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.41 101.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -96.43 -59.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.33 84.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -143.96 130.42 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -167.3 168.5 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -53.2 132.85 39.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.01 150.86 41.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.19 98.85 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -131.23 155.56 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' SG ' HG12 ' A' ' 52' ' ' VAL . 15.0 t -58.97 161.21 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.75 0.48 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -123.31 -33.55 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 28.9 p -119.01 -9.39 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 53.72 34.72 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 27' ' ' THR . 11.4 mm-40 -72.75 167.81 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -84.92 98.34 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 51' ' ' LEU . 11.6 mt -83.14 33.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.95 -69.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 37' ' ' ARG . 1.3 tmt_? -61.6 -47.54 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 43' ' ' ASN . 46.0 mt -55.13 178.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -145.7 138.55 13.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.599 ' HB3' HD13 ' A' ' 51' ' ' LEU . 53.6 Cg_endo -69.76 -20.3 35.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -37.8 -66.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -100.1 -13.3 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 38' ' ' LEU . 17.8 m-20 -82.24 40.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.2 m -115.17 119.71 37.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 8.8 t -67.24 112.95 4.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -60.25 -19.93 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.71 -62.5 4.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.0 p -109.66 13.05 23.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.7 m120 46.6 43.36 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -107.86 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD11 HD13 ' A' ' 35' ' ' LEU . 21.1 tp -102.29 116.67 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -135.47 163.8 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.74 177.07 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' NE ' HD21 ' A' ' 38' ' ' LEU . 83.7 mtm180 -82.63 15.7 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.46 -35.64 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' LYS . 61.5 m -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 8.8 ptm180 -87.16 155.88 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.1 mp -127.73 128.49 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' NE2' HH22 ' A' ' 57' ' ' ARG . 8.4 mm-40 -74.85 114.69 13.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.65 170.7 9.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -78.49 -25.45 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 64' ' ' THR . 13.0 t-20 -83.89 47.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.39 25.6 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 62' ' ' ASN . 36.6 p -123.63 174.77 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 35.6 p-90 -152.53 149.92 29.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 14.6 mtt85 -140.0 166.2 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -73.33 163.94 27.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' CYS . 18.3 mmtp -42.87 -53.14 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.53 -58.49 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 11.4 m -54.38 -64.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 p -37.58 -51.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.427 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -87.87 -141.21 7.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 54.0 Cg_endo -69.72 135.74 31.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -129.79 -43.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -103.54 41.48 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.447 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -169.35 132.5 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -170.58 174.97 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.45 123.95 1.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -173.17 128.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -167.21 139.23 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 110.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.0 tt -143.72 145.22 32.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.3 pp -162.72 150.28 13.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -168.99 124.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.5 mt -115.86 131.8 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -153.03 131.36 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -167.79 153.72 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -87.64 85.04 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.78 -54.17 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -123.73 147.75 47.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -49.59 162.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.7 66.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 t -145.83 107.98 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -83.34 -44.6 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -158.25 132.46 8.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -85.53 -52.63 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.3 m -64.4 150.1 47.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -170.23 145.13 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HE ' ' CG ' ' A' ' 40' ' ' PRO . 9.0 mmm180 -114.51 94.35 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.21 152.89 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 19.3 t -56.86 157.32 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -100.32 2.12 42.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 14.6 mmp_? -123.51 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.81 -6.79 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 39.4 mm-40 48.22 50.49 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 27' ' ' THR . 3.5 pt-20 -89.24 170.9 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -78.4 95.59 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 51' ' ' LEU . 20.9 mt -83.34 35.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.02 -92.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -45.03 -42.63 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD2' ' HE ' ' A' ' 54' ' ' ARG . 19.8 mt -52.02 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 14.7 m -104.61 98.97 16.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CG ' ' HE ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -36.56 10.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -53.42 -55.97 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -78.53 -24.25 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' SER . 49.6 m-20 -77.59 43.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.2 m -107.11 114.62 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.49 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.0 t -61.37 112.38 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -60.32 -21.4 61.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.92 -64.49 3.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.5 p -108.31 15.5 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' CYS . 28.1 m-80 44.83 42.64 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -105.55 -174.68 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 35' ' ' LEU . 33.2 tp -111.35 113.23 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.02 146.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.01 176.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 18.8 mtm105 -80.95 11.16 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.82 -30.53 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.2 -13.94 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 11.8 ptm180 -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.605 HD11 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mp -125.47 108.4 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -56.26 103.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 m -38.26 -59.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -69.5 -174.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.64 48.15 3.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.2 p -139.21 162.59 34.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.593 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 29.3 p-90 -150.91 150.89 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 43.6 mtt180 -137.99 164.96 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.01 158.51 35.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.605 ' CD ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -41.67 -50.61 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.39 -49.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 6.0 m -65.12 -72.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.414 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 m -54.77 -37.37 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -38.46 123.06 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.81 158.74 55.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 67.4 m 36.98 43.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' GLY . 6.2 t -115.25 41.74 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -174.47 160.28 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -169.74 163.31 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.88 -105.33 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t 61.26 44.86 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -73.26 170.8 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.54 165.19 22.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -132.75 167.96 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.1 pp -150.02 174.07 13.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -149.62 145.4 26.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.7 mt -118.46 149.78 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.56 140.03 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.55 165.11 27.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.23 124.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.03 -129.25 4.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.24 133.81 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -50.68 -35.43 30.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 29.2 ttt180 -134.9 96.43 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.98 -174.68 21.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t -174.16 146.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -107.29 165.8 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 22' ' ' HIS . 11.4 p80 -83.69 83.21 7.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.27 92.47 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -75.94 99.76 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 26' ' ' ARG . 7.5 t0 -140.93 160.65 39.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 61.5 mmt-85 -127.54 98.21 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.45 147.84 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.6 t -54.58 162.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' NH2' ' A' ' 30' ' ' ARG . . . -102.55 -3.76 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.513 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.4 mmp_? -119.65 -34.43 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 32' ' ' GLN . 21.6 p -122.57 2.54 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 35.43 47.15 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 27' ' ' THR . 3.8 mm-40 -86.33 177.83 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 p -85.57 99.21 11.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.892 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -83.38 34.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.5 -81.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.6 -51.37 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.5 153.74 7.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 69.1 m -95.3 113.35 61.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -45.04 -52.35 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -79.4 -26.89 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 70.5 m-20 -80.29 40.84 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.409 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 92.7 m -104.62 121.12 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.4 t -66.48 111.81 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -58.88 -18.94 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.97 -61.13 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -110.49 16.55 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.0 m120 42.75 39.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -102.08 179.67 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.892 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -108.4 113.33 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.16 150.23 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.6 176.24 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 8.84 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -111.3 -22.57 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.3 m -101.76 23.83 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' CZ ' ' OE1' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -129.37 164.37 23.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -127.28 144.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 2.1 mp0 -77.32 130.09 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -122.62 -175.94 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -77.7 -175.48 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 46.2 25.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.17 37.6 93.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.0 p -112.02 170.3 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.334 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.1 p-90 -156.37 155.94 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -144.68 166.56 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -75.14 154.3 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 19.6 mtpt -44.52 -40.88 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 ' CD ' ' A' ' 30' ' ' ARG . 66.3 t -62.71 -42.69 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.41 -69.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -55.0 -45.88 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -49.91 166.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.91 3.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 m 61.52 38.03 16.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -122.54 81.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -173.99 174.33 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -142.94 177.23 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.08 164.38 36.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -167.24 158.77 12.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -148.55 176.65 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.56 137.71 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 mt -134.84 167.14 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -159.45 160.19 34.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -156.81 117.56 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.86 119.7 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -127.99 133.38 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -162.29 155.45 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -87.89 152.39 22.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.98 109.1 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -61.75 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? 72.48 45.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -171.78 139.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.3 -44.0 1.56 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -99.65 113.52 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.61 -50.36 37.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -57.19 87.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.67 163.1 11.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -124.86 102.01 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -139.75 133.95 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -123.4 94.07 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.31 157.79 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.55 158.82 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.04 29.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.779 ' NH1' HG23 ' A' ' 69' ' ' VAL . 12.4 mmm-85 -118.55 -35.03 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -122.77 -10.78 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 54.69 52.44 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.861 ' O ' HG22 ' A' ' 27' ' ' THR . 33.8 mm-40 -92.75 175.52 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -83.69 98.68 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 51' ' ' LEU . 31.2 mt -83.24 33.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.19 -50.7 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -70.67 -41.6 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 54' ' ' ARG . 17.5 mt -76.55 169.2 18.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 49.4 m -98.86 101.55 12.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.71 -27.37 26.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -63.53 -49.97 71.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 39' ' ' SER . 10.0 t -86.59 -14.65 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 69.0 m-20 -84.14 48.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -106.23 118.73 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.9 t -64.36 112.78 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -58.09 -21.62 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.77 -65.43 2.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.34 21.32 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' CYS . 25.3 m120 37.78 42.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -105.67 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.79 HD11 HD13 ' A' ' 35' ' ' LEU . 28.4 tp -104.11 115.03 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -133.5 161.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.47 179.01 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.04 3.95 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.37 -30.21 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.5 m -91.37 20.54 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.41 171.61 8.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -134.63 109.67 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -65.59 113.68 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.81 178.95 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ASN . 3.0 m -92.01 -59.28 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' SER . 2.8 t30 -33.9 -57.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.23 34.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -139.83 -177.63 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 28.6 p-90 -157.45 145.16 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -139.55 164.48 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -74.57 161.71 29.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.8 -34.88 55.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.779 HG23 ' NH1' ' A' ' 30' ' ' ARG . 94.0 t -69.49 -30.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.9 -63.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.89 ' HB3' HD13 ' A' ' 58' ' ' ILE . 29.1 t -63.41 -41.0 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.43 -155.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 109.39 2.29 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.5 t -109.44 102.78 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -161.62 109.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.482 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -172.94 162.61 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.393 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -173.41 169.6 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 159.68 17.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -171.1 155.53 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -161.26 175.38 12.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 149.46 10.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.0 mt -150.25 170.91 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 9' ' ' LEU . 3.5 pp -160.92 175.49 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -155.21 148.61 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -116.72 142.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -142.21 146.8 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -152.58 179.38 8.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -80.24 -37.16 33.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . 131.09 159.4 9.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.78 139.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -23.72 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -57.83 99.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.31 -175.46 21.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -71.75 143.41 49.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -56.09 -42.76 77.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -80.58 46.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.75 -56.33 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -61.53 122.09 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -140.08 -179.94 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -109.52 92.53 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.52 138.26 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -43.16 160.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.56 2.44 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' CD ' HG23 ' A' ' 69' ' ' VAL . 10.2 mmp_? -124.53 -30.4 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -123.87 -9.48 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.9 OUTLIER 54.01 35.66 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 27' ' ' THR . 20.1 mt-10 -71.21 179.74 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -96.66 98.79 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -84.8 42.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.33 -60.95 6.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -85.4 24.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.49 160.07 23.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -97.93 105.39 27.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -30.07 22.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -58.76 -53.5 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 p -81.42 -22.01 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -84.76 35.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.435 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.5 m -105.26 120.62 42.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.528 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 14.5 t -63.55 114.36 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -57.88 -21.42 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.14 2.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.5 p -106.8 25.26 11.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' CYS . 34.0 m120 33.52 36.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 12.1 m170 -95.0 177.95 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.946 HD11 HD13 ' A' ' 35' ' ' LEU . 21.0 tp -108.96 118.04 35.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.31 164.61 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.29 178.75 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -83.33 25.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -127.56 -30.36 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.7 m -93.84 11.67 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' ' 58' ' ' ILE . 7.7 ptm180 -111.12 165.77 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 68' ' ' LYS . 3.9 mp -128.07 124.5 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -76.38 118.81 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -94.27 174.83 6.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -50.59 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.663 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -74.13 -173.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.91 44.91 1.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p -127.05 159.27 34.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.4 p-90 -156.75 157.91 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -140.51 162.58 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.5 p -72.99 155.6 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HA ' HD11 ' A' ' 58' ' ' ILE . 12.6 mttm -47.93 -38.5 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' CD ' ' A' ' 30' ' ' ARG . 47.5 t -66.61 -36.83 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.24 -66.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 t -58.26 -45.72 87.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.12 -170.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -39.16 6.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.4 m -130.73 163.55 27.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.3 m -129.35 157.69 41.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -174.26 151.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -174.87 174.1 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.51 147.22 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -170.82 160.38 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.59 164.97 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.73 151.56 7.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 8' ' ' LEU . 1.9 pt? -174.02 154.42 2.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 mt -144.24 176.77 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -171.38 133.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -110.22 148.25 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -151.37 151.53 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -158.36 162.06 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 10.6 ptpt -66.25 -50.39 63.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . -168.84 146.89 10.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.33 -53.2 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -46.14 169.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -91.53 -59.01 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.18 76.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.9 p -85.04 -50.12 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -117.16 105.44 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -45.89 154.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 43.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 m -74.9 86.96 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -135.46 175.07 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -103.2 92.96 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -127.55 158.36 37.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.7 t -62.08 160.99 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.89 0.11 29.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.8 mmp_? -122.27 -35.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.42 -8.45 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 49.66 44.64 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.72 ' O ' HG22 ' A' ' 27' ' ' THR . 5.7 mt-10 -86.77 173.52 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 t -85.01 100.31 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 51' ' ' LEU . 23.7 mt -84.07 31.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.9 -76.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -53.78 -41.1 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 78.2 mt -68.36 151.15 47.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -92.73 116.19 66.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.8 36.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 42' ' ' THR . 14.2 tmtt? -69.21 -58.9 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 6.4 t -75.78 -19.84 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 77.8 m-20 -86.7 47.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 99.1 m -111.05 120.7 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 29.8 t -66.04 112.61 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -59.3 -17.95 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.88 -63.55 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.93 19.81 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.9 m120 38.11 44.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -105.46 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.751 HD11 HD13 ' A' ' 35' ' ' LEU . 31.1 tp -111.61 114.69 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.91 150.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 28.6 p -67.62 178.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -83.6 12.56 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -112.37 -36.49 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.9 m -77.02 -14.09 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -83.57 163.07 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.0 mp -130.03 104.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.09 114.93 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLY . 11.8 mm-40 -90.06 129.06 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.5 p -39.72 -43.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -52.61 -42.09 64.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 142.95 -33.56 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.7 p -74.18 -179.59 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 27.8 p-90 -155.01 144.75 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 45.3 mtm180 -133.36 165.4 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -76.53 159.62 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -39.56 -52.88 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG23 ' CD ' ' A' ' 30' ' ' ARG . 58.9 t -55.93 -56.3 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 7.2 m -57.39 -71.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 1.004 ' HB3' HD13 ' A' ' 58' ' ' ILE . 17.7 t -42.91 -46.71 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -47.79 173.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.95 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.254 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 m 68.29 42.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 m -93.76 107.91 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.5 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -154.9 131.41 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -153.32 168.74 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.49 58.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -100.24 151.7 21.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -164.49 164.9 21.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.83 105.29 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.57 158.6 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 9' ' ' LEU . 3.0 pp -172.84 144.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -138.06 136.85 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 mt -117.61 132.48 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -142.39 119.61 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -138.21 127.91 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -48.67 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.68 -85.96 0.21 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.85 45.53 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -49.13 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -68.4 165.35 18.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.35 -42.16 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.0 p -165.24 122.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -101.36 114.21 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 35.1 p-80 -83.67 121.4 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -91.58 85.81 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -160.91 148.15 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.31 171.31 15.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -125.08 98.74 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.66 142.25 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -47.88 160.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -101.21 -4.68 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.931 ' NE ' HG23 ' A' ' 69' ' ' VAL . 1.4 mmm180 -119.81 -38.32 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' GLN . 31.0 p -118.68 5.5 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 32.49 54.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 27' ' ' THR . 4.9 pt-20 -88.45 -175.65 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -92.95 95.36 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 HD11 ' A' ' 51' ' ' LEU . 5.5 mt -85.95 30.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.77 -55.22 21.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -72.53 -59.59 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.9 mt -45.18 160.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 72.9 m -102.43 116.82 62.31 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.0 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -46.16 -49.49 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -84.16 -26.93 28.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.436 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 72.3 m-20 -82.55 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 87.3 m -104.22 121.13 42.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.6 t -68.44 113.75 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -57.0 -23.5 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.14 -65.46 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 p -108.8 19.52 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' CYS . 11.6 m-20 38.51 39.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -99.3 -176.15 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 HD13 ' A' ' 35' ' ' LEU . 22.8 tp -112.35 115.85 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.34 155.87 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -78.41 177.82 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -80.14 10.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.65 -9.44 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -116.19 25.66 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 7.9 ptm180 -126.16 167.04 15.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.523 HD11 ' HD2' ' A' ' 68' ' ' LYS . 4.3 mp -130.44 133.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.86 117.82 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -91.03 166.06 13.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' ASN . 15.6 t -73.71 -61.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' SER . 56.0 m-20 -34.17 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.53 32.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -133.68 -178.36 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 23.7 p-90 -156.08 143.43 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 55.8 mtt180 -132.6 168.04 18.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -71.58 169.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 58' ' ' ILE . 3.9 mmmm -58.16 -39.94 80.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.931 HG23 ' NE ' ' A' ' 30' ' ' ARG . 83.0 t -67.48 -35.86 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.8 m -74.35 -66.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.52 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.2 t -55.43 -43.92 75.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.4 153.84 7.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.22 11.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 m -106.23 105.69 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -124.21 98.24 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.509 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 p -70.27 -61.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -175.0 174.16 2.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.18 141.82 3.23 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -171.0 159.06 5.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -169.32 171.14 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.683 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 165.97 138.33 2.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.0 mm? -126.39 149.13 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 9' ' ' LEU . 3.3 mp -101.57 147.69 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -137.58 124.95 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.3 mt -98.66 150.46 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -166.33 115.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.59 166.99 24.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -35.06 -53.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.96 79.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 144.63 30.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -157.1 142.61 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LYS . 29.8 ttt180 -34.89 139.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 -161.93 21.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.2 p -45.55 118.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.19 74.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -113.08 92.57 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -97.96 -46.56 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -67.72 108.9 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.34 162.6 23.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -115.16 93.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -129.53 159.89 34.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' HG12 ' A' ' 52' ' ' VAL . 40.0 t -68.04 144.35 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -91.63 11.7 23.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 13.3 mmp_? -129.84 -39.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -115.26 -12.76 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 53.08 46.09 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.36 162.46 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.5 p -73.11 102.79 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.88 HD13 HD11 ' A' ' 51' ' ' LEU . 26.9 mt -80.16 39.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.32 -72.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -54.02 -36.14 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.82 179.22 2.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -134.2 119.48 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.5 Cg_endo -69.76 -25.87 28.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.5 p -107.46 -22.82 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.405 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 3.8 m120 -79.0 42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.8 m -114.04 115.15 27.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.437 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 20.7 t -59.94 113.1 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -60.56 -18.06 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.78 -64.33 2.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.7 p -105.58 20.55 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' CYS . 75.0 m-20 36.41 42.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -103.99 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.88 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -110.63 116.52 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.46 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -141.38 147.87 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -67.67 176.28 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -81.68 13.28 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.77 -28.67 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.8 m -95.02 17.79 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -124.49 160.55 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -131.21 99.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 65' ' ' TRP . 1.7 pm0 -58.03 145.03 37.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -113.1 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 t -95.81 -11.12 27.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -90.25 35.43 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.87 30.92 46.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 62' ' ' ASN . 77.7 p -139.15 -177.29 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 111.138 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.5 p-90 -165.85 152.23 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 41.7 mtm180 -137.3 162.0 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.88 157.12 38.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 3.3 mtpm? -45.29 -45.61 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.3 -37.09 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 4.4 m -76.38 -64.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -60.79 -43.37 98.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.94 -149.51 0.85 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 96.05 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.1 p -56.37 -56.36 22.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -139.95 148.98 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -167.52 152.14 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -170.46 173.27 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.18 178.68 47.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -174.15 153.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -158.22 175.69 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.741 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 133.9 109.04 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 7' ' ' GLY . 3.1 mm? -124.02 125.43 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.13 -177.0 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -139.5 157.44 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -98.37 140.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -146.48 153.12 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -168.46 132.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 17.9 mttp -40.94 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.97 42.19 5.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.69 146.18 36.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 147.28 25.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 44.15 28.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.89 134.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -169.71 118.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.913 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -133.06 155.81 48.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 45.65 40.09 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 41.4 p90 -106.45 44.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -89.2 -55.42 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -164.83 174.39 10.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -128.81 100.26 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.52 139.27 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.2 t -47.29 156.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . -101.78 0.07 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' NH1' HG21 ' A' ' 69' ' ' VAL . 4.8 mmp_? -122.15 -33.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.26 -8.18 9.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 2.7 mm-40 49.45 42.92 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' THR . 19.8 mm-40 -87.63 175.28 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 t -87.55 102.38 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.863 HD13 HD11 ' A' ' 51' ' ' LEU . 5.1 mt -88.4 27.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.01 -57.37 13.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -66.64 -46.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 20.4 mt -63.51 160.55 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 m -95.87 109.21 45.23 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.11 30.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -63.25 -51.2 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.1 p -86.52 -18.67 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 71.5 m-20 -83.27 36.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.7 m -102.56 122.13 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.7 t -67.28 113.21 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -58.1 -22.35 50.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -64.17 3.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -111.28 19.33 18.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' CYS . 20.2 m-20 41.34 40.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -99.31 -177.01 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.863 HD11 HD13 ' A' ' 35' ' ' LEU . 25.9 tp -110.59 116.68 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.42 153.28 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -76.97 174.15 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -74.54 3.89 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -106.86 -17.94 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.403 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 92.0 m -108.03 27.18 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -133.16 169.18 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.802 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.9 mp -135.3 117.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 57' ' ' ARG . 10.4 mm-40 -68.03 125.4 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -93.81 132.45 38.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -41.21 -48.73 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -47.95 -43.93 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.09 -34.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -72.77 -175.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 111.167 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 45.8 p-90 -158.04 159.85 36.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -145.9 168.49 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -71.24 170.26 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HD11 ' A' ' 58' ' ' ILE . 2.8 mmmm -61.95 -32.54 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' NH1' ' A' ' 30' ' ' ARG . 66.4 t -75.42 -29.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 m -85.95 -61.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.802 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.7 m -69.17 -35.04 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.37 172.23 52.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.52 10.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -118.73 94.21 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -123.9 88.1 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.502 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -174.89 146.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -173.55 173.11 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.29 157.08 8.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.4 131.57 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -169.62 130.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.75 76.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.539 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 8' ' ' LEU . 4.1 tt -129.07 126.72 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -146.42 125.85 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -157.34 107.61 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 12' ' ' LYS . 59.8 mt -116.65 152.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 11' ' ' ILE . 7.9 pttt -170.58 132.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -173.56 140.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 5.0 ttpm? -101.91 94.83 6.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.11 81.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.05 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -146.51 143.52 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -94.83 93.02 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.06 -64.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -97.08 118.85 34.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.54 -63.07 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -44.15 135.42 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.78 -58.64 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.6 p -102.67 131.76 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -166.69 179.07 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.621 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -90.81 88.9 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.28 133.64 55.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 30.9 t -48.44 142.04 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -91.45 13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.763 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmm180 -128.93 -41.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -116.14 -14.36 11.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 71.8 mm-40 59.48 48.68 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.79 177.78 6.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 t -91.34 99.99 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 26' ' ' ARG . 8.2 mt -81.84 33.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.49 -93.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -46.44 -39.27 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD21 ' NE ' ' A' ' 54' ' ' ARG . 16.9 mt -59.49 149.15 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -98.6 125.21 43.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' HG3' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.79 -50.73 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -36.83 -58.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.6 p -74.81 -30.83 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -82.26 38.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.8 m -112.66 109.5 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ASN . 8.4 t -57.96 110.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -60.98 -17.33 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.4 -62.7 4.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.7 1.71 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' CYS . 13.1 m120 57.78 42.09 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -105.96 -177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 49.1 tp -113.62 118.96 35.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -137.83 172.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -93.87 179.58 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' NE ' HD21 ' A' ' 38' ' ' LEU . 71.4 mtm180 -83.06 27.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -128.23 -28.69 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.3 m -99.05 21.43 11.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.641 ' NH2' ' CD1' ' A' ' 65' ' ' TRP . 11.7 ptm180 -117.78 167.61 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.904 HD13 ' HB3' ' A' ' 71' ' ' SER . 3.8 mp -133.38 122.95 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.05 124.39 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.78 157.5 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -43.53 -43.76 5.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -87.12 -174.97 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.13 44.52 2.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 p -134.35 166.18 23.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.641 ' CD1' ' NH2' ' A' ' 57' ' ' ARG . 57.6 p-90 -156.61 160.89 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -142.87 162.17 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.5 165.48 23.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -56.95 -39.18 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.763 HG23 ' NE ' ' A' ' 30' ' ' ARG . 61.3 t -65.43 -35.68 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.27 -63.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.904 ' HB3' HD13 ' A' ' 58' ' ' ILE . 6.5 t -58.99 -42.11 89.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -74.67 -148.43 1.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 53.6 Cg_endo -69.81 111.64 2.87 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.297 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 m -68.45 123.19 20.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -88.67 -57.08 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.513 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -165.15 161.26 19.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -172.6 175.01 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.23 132.12 2.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -162.21 144.46 11.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -162.7 172.14 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.83 79.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.05 82.01 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.44 103.25 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -136.76 108.83 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.15 142.81 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 135.64 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -175.78 140.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 7.3 tmtt? -96.36 115.4 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.47 58.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.26 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.345 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -117.24 -59.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -137.8 132.89 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.71 82.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -91.47 173.86 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -59.46 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -74.74 115.52 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -120.47 78.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 p -134.15 120.33 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -143.55 153.02 42.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -127.13 98.23 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.76 152.75 48.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -57.39 165.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -9.24 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -111.42 -36.5 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 22.7 p -118.29 -8.57 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 1.0 OUTLIER 50.55 36.65 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 27' ' ' THR . 5.4 mm-40 -77.71 165.13 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 t -77.77 102.9 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.891 HD13 HD11 ' A' ' 51' ' ' LEU . 61.7 mt -80.93 36.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -68.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.38 -46.38 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 35' ' ' LEU . 79.0 mt -59.4 -178.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -141.53 127.2 10.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' THR . 5.9 tptm -51.92 -69.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 4.7 t -97.96 -8.87 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 39' ' ' SER . 11.4 m-20 -79.2 43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.411 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 97.1 m -118.74 120.41 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 27.1 t -60.4 114.27 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -59.7 -18.69 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.58 -66.83 1.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.6 p -104.3 25.45 10.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' CYS . 82.2 m-20 33.46 40.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.48 170.85 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.891 HD11 HD13 ' A' ' 35' ' ' LEU . 17.7 tp -101.44 116.82 33.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.51 155.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -76.55 178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 54' ' ' ARG . 11.4 mtp-105 -80.02 13.16 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 -28.87 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.6 m -96.07 22.06 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' C ' HD12 ' A' ' 58' ' ' ILE . 11.0 ptm180 -121.93 166.2 14.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.5 mp -134.68 120.1 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.63 117.95 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' OE2' ' NH2' ' A' ' 66' ' ' ARG . 28.3 mt-10 -88.48 155.13 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -42.7 -46.81 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -79.83 -178.96 6.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.3 46.04 2.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.0 p -139.48 167.66 21.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 53.0 p-90 -154.17 163.95 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 52.9 mtm180 -145.51 167.89 21.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -74.82 168.89 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 58' ' ' ILE . 4.3 mmmm -54.65 -47.09 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.48 -41.49 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 3.1 m -69.17 -69.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.449 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -55.1 -42.5 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.3 163.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.78 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -86.92 146.09 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.0 p -75.02 96.35 3.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.522 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.03 170.1 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -173.14 173.59 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.76 171.68 44.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -168.73 171.27 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -172.78 170.31 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.49 -177.96 30.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 tp -173.61 144.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -167.08 153.15 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -160.35 144.74 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mt -116.37 137.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -145.15 149.94 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -159.35 -179.28 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -40.02 -64.22 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.91 75.35 0.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.17 120.91 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -38.74 -53.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -121.41 162.22 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.83 109.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -88.51 106.92 18.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -109.34 -43.52 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 9.4 p80 -79.69 44.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -49.57 -53.4 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 m -44.84 119.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.68 143.44 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 12.8 mmt85 -108.78 91.79 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -128.19 153.5 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 32.3 t -57.48 150.37 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -96.81 10.4 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.863 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.7 mmm180 -128.73 -39.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.71 -11.19 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 28' ' ' CYS . 20.6 mm100 55.25 47.99 20.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 27' ' ' THR . 15.1 mm-40 -90.13 169.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -83.86 97.29 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 51' ' ' LEU . 12.0 mt -83.82 31.21 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -45.11 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -45.68 -42.12 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.9 163.1 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -105.24 117.36 58.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.71 -23.78 30.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -64.31 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -68.11 -20.38 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -89.86 49.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.553 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.1 m -116.55 118.57 32.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.5 t -63.67 112.58 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -58.59 -21.64 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.38 -64.92 3.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.04 17.27 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.0 m120 44.09 39.94 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -99.72 -174.77 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 35' ' ' LEU . 32.6 tp -113.03 123.88 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.36 167.59 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.29 178.91 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 1.1 ptm180 -84.15 21.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.0 -20.42 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.9 m -103.61 0.76 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.555 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 9.5 ptm180 -94.74 167.23 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.3 mp -134.59 125.03 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -76.69 119.86 21.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -98.28 160.91 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' ASN . 37.4 t -70.94 -56.34 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' SER . 4.3 p30 -34.71 -39.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.22 11.2 2.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.8 p -118.63 -173.69 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 47.6 p-90 -151.73 156.64 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -148.09 164.26 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -73.25 154.12 40.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -42.85 -45.17 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.863 HG23 ' NE ' ' A' ' 30' ' ' ARG . 57.5 t -62.87 -36.41 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.98 -62.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.5 p -45.36 -38.05 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.48 -164.46 31.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.6 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -45.38 161.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -120.13 149.74 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.461 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.887 0.375 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.56 141.18 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.556 ' N ' HD11 ' A' ' 35' ' ' LEU . 12.2 t -41.68 159.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.93 -1.29 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HD3' HG23 ' A' ' 69' ' ' VAL . 12.7 mmp_? -119.21 -28.82 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.37 -8.77 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 50.62 49.51 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 27' ' ' THR . 26.0 mm-40 -89.63 171.15 9.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 p -80.69 96.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.706 HD13 HD11 ' A' ' 51' ' ' LEU . 10.6 mt -88.21 33.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.78 -68.02 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -56.05 -44.39 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD22 HD21 ' A' ' 43' ' ' ASN . 21.8 mt -62.15 169.37 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -109.38 113.29 58.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.92 19.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -58.44 -41.34 84.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 p -93.5 -25.21 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.524 HD21 HD22 ' A' ' 38' ' ' LEU . 76.6 m-20 -83.07 39.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -104.12 124.27 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.2 t -67.72 112.24 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -57.35 -19.87 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.37 -65.23 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 p -107.56 20.66 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' CYS . 45.4 m-80 37.86 40.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -99.39 -175.54 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -113.18 115.64 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.02 163.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -88.82 178.17 6.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.45 13.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -115.92 -25.0 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.4 m -101.27 21.11 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.91 167.32 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.8 mp -128.95 134.07 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -73.93 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.714 0.292 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -150.43 148.61 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.89 162.82 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -72.16 154.13 41.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HA ' HD11 ' A' ' 58' ' ' ILE . 31.4 mttt -44.03 -46.45 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG23 ' HD3' ' A' ' 30' ' ' ARG . 41.4 t -60.6 -31.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -86.12 -66.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.725 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.3 149.43 52.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.523 ' N ' HD11 ' A' ' 35' ' ' LEU . 22.3 t -52.97 154.9 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.07 43.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.82 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.1 mmm180 -124.51 -38.66 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.38 -5.15 11.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 48.86 36.96 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.743 ' O ' HG22 ' A' ' 27' ' ' THR . 25.0 mm-40 -78.27 172.62 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -84.7 99.39 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 51' ' ' LEU . 9.8 mt -83.94 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.07 -80.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -52.58 -56.91 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -49.07 148.44 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 123.41 57.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.74 29.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -58.69 -71.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 t -65.32 -24.56 67.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -83.82 44.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -113.92 113.61 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASN . 22.9 t -56.44 111.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -60.2 -16.33 32.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 -63.27 2.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.97 17.02 22.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' CYS . 9.6 m120 42.47 41.74 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -103.78 172.49 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 35' ' ' LEU . 22.7 tp -102.65 115.29 30.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.29 162.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 28.7 p -80.49 179.24 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -82.6 10.22 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.69 -32.62 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.2 m -88.28 10.98 17.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER -116.48 163.31 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 71' ' ' SER . 5.0 mp -130.18 118.79 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.83 127.27 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.43 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.3 p-90 -160.48 156.38 25.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -144.09 166.32 25.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.03 157.93 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' ILE . 36.1 mttt -48.52 -44.29 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' NE ' ' A' ' 30' ' ' ARG . 43.0 t -62.1 -33.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m -81.72 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 58' ' ' ILE . 9.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.882 0.373 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -133.66 146.18 50.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 14.0 t -46.24 162.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.5 -3.37 22.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HD3' HG23 ' A' ' 69' ' ' VAL . 1.5 mmp_? -121.52 -34.1 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 p -116.91 -7.43 11.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 29.7 mm-40 45.15 47.89 9.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 27' ' ' THR . 21.8 mt-10 -94.47 171.35 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -80.0 101.25 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 51' ' ' LEU . 7.5 mt -83.4 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.37 -80.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 24.6 ptt180 -46.28 -39.02 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 15.2 mt -71.96 171.96 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 70.7 m -114.66 121.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.3 Cg_endo -69.8 -42.42 3.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -45.38 -60.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -74.05 -24.95 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' SER . 72.2 m-20 -84.13 46.72 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.408 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 90.9 m -114.68 115.98 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 30.4 t -63.05 112.82 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -60.59 -17.33 45.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.18 -64.06 2.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.95 20.28 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' CYS . 2.6 m-80 38.36 41.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.47 -177.25 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.865 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -112.11 112.12 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.74 144.69 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -64.47 177.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.66 12.36 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -113.58 -29.62 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -94.48 21.39 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NE ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -123.88 164.33 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.871 HD13 ' HB2' ' A' ' 71' ' ' SER . 5.1 mp -130.12 119.68 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.36 121.98 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 34.5 p-90 -157.01 149.42 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -133.62 165.07 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.98 161.85 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.616 ' HD2' HD11 ' A' ' 58' ' ' ILE . 16.3 mmmt -50.67 -44.01 57.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.549 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.1 t -63.82 -37.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.21 -69.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.871 ' HB2' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.881 0.372 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -130.08 149.86 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 52' ' ' VAL . 37.7 t -57.87 147.57 28.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.85 10.9 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HD2' HG23 ' A' ' 69' ' ' VAL . 10.0 mmt180 -131.36 -33.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -121.22 -12.5 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 54.65 47.17 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 27' ' ' THR . 8.7 mm-40 -89.6 173.35 8.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 p -88.77 96.14 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 51' ' ' LEU . 8.6 mt -82.3 38.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.7 -56.76 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -67.33 -51.13 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.92 170.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -109.53 117.06 53.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.46 12.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -53.62 -49.44 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -84.03 -28.05 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -81.14 39.82 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.4 m -104.98 121.11 43.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASN . 18.9 t -65.35 112.16 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -59.78 -17.84 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -64.63 2.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -107.16 19.8 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' CYS . 14.6 m-80 39.33 43.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -104.25 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 35' ' ' LEU . 25.6 tp -114.49 117.83 32.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.49 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -140.8 151.0 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 p -68.96 177.17 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -81.44 15.04 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 28.0 t70 -115.91 -35.28 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.35 18.86 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -123.91 168.83 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -132.75 126.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.4 ' HG3' ' NH1' ' A' ' 57' ' ' ARG . 36.6 mt-30 -79.83 99.94 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 19.9 p-90 -149.37 147.52 28.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -133.01 167.86 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 p -72.76 153.2 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 37.4 mttt -44.95 -43.01 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 30' ' ' ARG . 60.0 t -62.81 -35.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.3 -66.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 24.7 mmt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.03 156.03 42.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.96 159.3 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.82 0.67 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.709 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.3 mmm180 -118.29 -37.21 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.14 -11.27 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 56.65 38.73 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 27' ' ' THR . 15.8 mt-10 -81.57 169.85 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -83.67 104.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 51' ' ' LEU . 16.0 mt -87.26 34.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.26 -57.6 17.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -42.17 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 HD21 ' A' ' 43' ' ' ASN . 17.8 mt -72.76 144.1 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -86.08 121.26 72.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 42' ' ' THR . 8.1 tmtt? -40.8 -56.42 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.471 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 8.1 t -75.27 -25.09 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.425 HD21 HD22 ' A' ' 38' ' ' LEU . 79.7 m-20 -87.43 47.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -111.87 116.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASN . 16.0 t -61.73 112.72 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -58.94 -19.17 40.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.29 -65.25 2.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.3 p -106.4 20.53 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.2 m120 37.94 41.26 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -103.03 177.11 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 35' ' ' LEU . 25.0 tp -107.66 114.65 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.98 160.22 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -81.81 175.31 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -77.56 9.73 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -112.32 -27.57 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -97.56 16.44 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.549 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -120.18 168.34 11.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 57' ' ' ARG . 4.3 mp -133.83 128.3 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' OE1' ' NH2' ' A' ' 57' ' ' ARG . 8.9 mm100 -81.16 122.56 27.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 33.5 p-90 -157.72 145.0 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.84 163.81 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 p -71.7 158.99 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -47.07 -48.74 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.709 HG23 ' NE ' ' A' ' 30' ' ' ARG . 47.4 t -57.94 -38.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.2 m -75.69 -69.63 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.4 ' HB3' HD13 ' A' ' 58' ' ' ILE . 8.2 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.94 144.37 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -48.39 162.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.16 -4.19 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HD2' HG23 ' A' ' 69' ' ' VAL . 13.6 mmp_? -117.69 -36.25 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.12 -7.05 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 48.38 39.02 11.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 27' ' ' THR . 42.1 mt-10 -80.72 172.38 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 p -83.2 101.96 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.852 HD13 HD11 ' A' ' 51' ' ' LEU . 10.3 mt -87.5 34.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.79 -63.71 5.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.447 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -61.5 -44.95 96.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.93 164.89 16.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -107.4 122.52 40.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -43.34 -57.52 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -74.49 -29.68 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -83.69 46.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -111.49 115.44 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.7 t -60.26 112.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -60.05 -17.79 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.46 -64.35 2.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 p -108.3 17.98 21.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.9 m120 42.87 41.02 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -102.64 176.52 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.852 HD11 HD13 ' A' ' 35' ' ' LEU . 18.7 tp -106.71 113.96 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.86 150.54 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 29.8 p -71.64 179.24 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -81.34 11.2 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.23 -24.56 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -99.43 21.65 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -129.86 169.18 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.976 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -128.31 126.08 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -78.51 103.21 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.755 0.312 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.414 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 31.9 p-90 -154.28 153.96 32.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -137.95 167.84 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -71.77 158.47 36.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HA ' HD11 ' A' ' 58' ' ' ILE . 6.5 mtpp -50.3 -39.72 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG23 ' HD2' ' A' ' 30' ' ' ARG . 57.7 t -65.89 -36.08 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.04 -67.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.976 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.961 0.41 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.99 148.2 52.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.3 t -48.3 164.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.2 -0.85 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 30' ' ' ARG . 1.3 mmp_? -122.1 -32.09 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.94 -7.94 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 27.7 mm-40 50.91 44.32 28.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.817 ' O ' HG22 ' A' ' 27' ' ' THR . 23.0 mt-10 -81.81 175.03 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -89.16 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD21 ' A' ' 51' ' ' LEU . 17.4 mt -86.16 28.09 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.77 -63.53 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 37' ' ' ARG . 28.2 mtm105 -68.27 -37.72 80.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.4 143.38 50.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -85.52 123.8 72.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -39.94 -66.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -63.79 -28.36 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -85.45 45.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 93.1 m -112.61 118.75 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.8 t -62.93 112.33 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -58.8 -18.25 30.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.9 2.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.14 20.38 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' CYS . 33.3 m120 39.33 41.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -101.78 171.98 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 HD12 ' A' ' 35' ' ' LEU . 17.5 tp -103.64 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.02 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.2 p -88.37 179.29 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.98 23.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -125.19 -29.17 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.19 19.29 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 58' ' ' ILE . 12.6 ptm180 -112.49 171.11 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -135.14 119.33 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.534 ' NE2' ' NH2' ' A' ' 57' ' ' ARG . 17.4 mm-40 -74.21 118.41 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 26.5 p-90 -155.75 141.31 17.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 20.8 mtt180 -133.22 165.02 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.52 163.35 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' ILE . 7.5 mmmt -52.0 -40.7 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.9 t -63.03 -40.95 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.6 m -68.97 -69.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.84 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.936 0.398 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -124.94 161.33 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 36.5 t -66.73 155.11 38.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -99.41 8.75 44.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.837 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.4 mmm180 -128.12 -35.32 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.05 -9.78 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 54.18 41.27 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 27' ' ' THR . 26.9 mt-10 -82.62 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 t -90.67 98.95 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.789 HD13 HD11 ' A' ' 51' ' ' LEU . 6.2 mt -79.48 44.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ARG . . . -60.61 -92.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 2.1 tpm_? -37.45 -46.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.43 -179.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 m -125.86 115.66 24.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.9 Cg_endo -69.72 -16.4 37.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -67.81 -44.29 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.56 HG23 ' HD3' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -97.3 -6.09 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 79.6 m-20 -94.73 46.08 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -113.98 115.42 27.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' ASN . 6.1 t -63.29 113.1 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -56.04 -23.38 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' HE ' ' A' ' 66' ' ' ARG . . . -67.1 -65.15 2.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASN . 8.2 p -108.96 20.25 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' CYS . 32.2 m120 36.47 40.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.66 174.54 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.789 HD11 HD13 ' A' ' 35' ' ' LEU . 41.2 tp -100.99 118.98 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -141.11 160.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -82.17 174.54 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 8.52 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.77 -28.3 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.94 21.41 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.87 161.25 28.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -125.13 149.15 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -90.58 120.6 31.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.727 0.299 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 27.6 p-90 -155.96 148.67 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HE ' ' CA ' ' A' ' 47' ' ' GLY . 37.6 mtt180 -142.29 167.93 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.19 154.37 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 15.3 mtpt -45.06 -41.56 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' NE ' ' A' ' 30' ' ' ARG . 26.2 t -63.53 -39.1 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.7 m -73.17 -70.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 58' ' ' ILE . 38.7 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.859 0.361 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -131.23 155.56 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.506 ' SG ' HG12 ' A' ' 52' ' ' VAL . 15.0 t -58.97 161.21 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.75 0.48 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -123.31 -33.55 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 28.9 p -119.01 -9.39 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 53.72 34.72 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 27' ' ' THR . 11.4 mm-40 -72.75 167.81 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -84.92 98.34 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 51' ' ' LEU . 11.6 mt -83.14 33.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.95 -69.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 1.3 tmt_? -61.6 -47.54 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 43' ' ' ASN . 46.0 mt -55.13 178.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -145.7 138.55 13.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.599 ' HB3' HD13 ' A' ' 51' ' ' LEU . 53.6 Cg_endo -69.76 -20.3 35.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -37.8 -66.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -100.1 -13.3 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 38' ' ' LEU . 17.8 m-20 -82.24 40.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.2 m -115.17 119.71 37.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 8.8 t -67.24 112.95 4.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -60.25 -19.93 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.71 -62.5 4.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.0 p -109.66 13.05 23.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.7 m120 46.6 43.36 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.86 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.663 HD11 HD13 ' A' ' 35' ' ' LEU . 21.1 tp -102.29 116.67 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -135.47 163.8 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.74 177.07 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' NE ' HD21 ' A' ' 38' ' ' LEU . 83.7 mtm180 -82.63 15.7 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.46 -35.64 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' LYS . 61.5 m -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 8.8 ptm180 -87.16 155.88 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.1 mp -127.73 128.49 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' NE2' HH22 ' A' ' 57' ' ' ARG . 8.4 mm-40 -74.85 114.69 13.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 35.6 p-90 -152.53 149.92 29.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 14.6 mtt85 -140.0 166.2 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -73.33 163.94 27.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' CYS . 18.3 mmtp -42.87 -53.14 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.53 -58.49 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 11.4 m -54.38 -64.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HE ' ' CG ' ' A' ' 40' ' ' PRO . 9.0 mmm180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.924 0.392 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.21 152.89 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 19.3 t -56.86 157.32 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -100.32 2.12 42.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 14.6 mmp_? -123.51 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.81 -6.79 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 39.4 mm-40 48.22 50.49 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 27' ' ' THR . 3.5 pt-20 -89.24 170.9 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -78.4 95.59 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 51' ' ' LEU . 20.9 mt -83.34 35.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.02 -92.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -45.03 -42.63 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD2' ' HE ' ' A' ' 54' ' ' ARG . 19.8 mt -52.02 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 14.7 m -104.61 98.97 16.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CG ' ' HE ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -36.56 10.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -53.42 -55.97 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -78.53 -24.25 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' SER . 49.6 m-20 -77.59 43.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.2 m -107.11 114.62 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.49 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.0 t -61.37 112.38 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -60.32 -21.4 61.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.92 -64.49 3.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.5 p -108.31 15.5 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' CYS . 28.1 m-80 44.83 42.64 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -105.55 -174.68 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 35' ' ' LEU . 33.2 tp -111.35 113.23 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.02 146.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.01 176.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 18.8 mtm105 -80.95 11.16 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.82 -30.53 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.2 -13.94 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 11.8 ptm180 -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.605 HD11 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mp -125.47 108.4 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.26 103.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.2 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.593 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 29.3 p-90 -150.91 150.89 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 43.6 mtt180 -137.99 164.96 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.01 158.51 35.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.605 ' CD ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -41.67 -50.61 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.39 -49.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 6.0 m -65.12 -72.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.414 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 61.5 mmt-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.45 147.84 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.6 t -54.58 162.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' NH2' ' A' ' 30' ' ' ARG . . . -102.55 -3.76 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.513 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.4 mmp_? -119.65 -34.43 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 32' ' ' GLN . 21.6 p -122.57 2.54 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 35.43 47.15 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 27' ' ' THR . 3.8 mm-40 -86.33 177.83 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 p -85.57 99.21 11.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.892 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -83.38 34.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.5 -81.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.6 -51.37 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.5 153.74 7.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 69.1 m -95.3 113.35 61.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -45.04 -52.35 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -79.4 -26.89 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 70.5 m-20 -80.29 40.84 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.409 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 92.7 m -104.62 121.12 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.4 t -66.48 111.81 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -58.88 -18.94 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.97 -61.13 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -110.49 16.55 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.0 m120 42.75 39.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -102.08 179.67 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.892 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -108.4 113.33 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.16 150.23 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.6 176.24 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 8.84 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -111.3 -22.57 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.3 m -101.76 23.83 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.495 ' CZ ' ' OE1' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -129.37 164.37 23.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -127.28 144.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 2.1 mp0 -77.32 130.09 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.8 0.334 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.1 p-90 -156.37 155.94 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -144.68 166.56 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -75.14 154.3 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 19.6 mtpt -44.52 -40.88 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 ' CD ' ' A' ' 30' ' ' ARG . 66.3 t -62.71 -42.69 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.41 -69.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.31 157.79 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.55 158.82 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.04 29.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.779 ' NH1' HG23 ' A' ' 69' ' ' VAL . 12.4 mmm-85 -118.55 -35.03 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -122.77 -10.78 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 54.69 52.44 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.861 ' O ' HG22 ' A' ' 27' ' ' THR . 33.8 mm-40 -92.75 175.52 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -83.69 98.68 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 51' ' ' LEU . 31.2 mt -83.24 33.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.19 -50.7 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -70.67 -41.6 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 54' ' ' ARG . 17.5 mt -76.55 169.2 18.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 49.4 m -98.86 101.55 12.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.71 -27.37 26.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -63.53 -49.97 71.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 39' ' ' SER . 10.0 t -86.59 -14.65 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 69.0 m-20 -84.14 48.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -106.23 118.73 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.9 t -64.36 112.78 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -58.09 -21.62 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.77 -65.43 2.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.34 21.32 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' CYS . 25.3 m120 37.78 42.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -105.67 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.79 HD11 HD13 ' A' ' 35' ' ' LEU . 28.4 tp -104.11 115.03 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -133.5 161.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.47 179.01 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.04 3.95 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.37 -30.21 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.5 m -91.37 20.54 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.41 171.61 8.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -134.63 109.67 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -65.59 113.68 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 28.6 p-90 -157.45 145.16 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -139.55 164.48 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -74.57 161.71 29.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.8 -34.88 55.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.779 HG23 ' NH1' ' A' ' 30' ' ' ARG . 94.0 t -69.49 -30.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.9 -63.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.89 ' HB3' HD13 ' A' ' 58' ' ' ILE . 29.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.908 0.385 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.52 138.26 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -43.16 160.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.56 2.44 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' CD ' HG23 ' A' ' 69' ' ' VAL . 10.2 mmp_? -124.53 -30.4 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -123.87 -9.48 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 54.01 35.66 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 27' ' ' THR . 20.1 mt-10 -71.21 179.74 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -96.66 98.79 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -84.8 42.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.33 -60.95 6.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -85.4 24.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.49 160.07 23.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -97.93 105.39 27.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -30.07 22.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -58.76 -53.5 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 p -81.42 -22.01 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -84.76 35.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.435 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.5 m -105.26 120.62 42.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.528 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 14.5 t -63.55 114.36 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -57.88 -21.42 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.14 2.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.5 p -106.8 25.26 11.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' CYS . 34.0 m120 33.52 36.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 4.1 m-70 -95.0 177.95 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.946 HD11 HD13 ' A' ' 35' ' ' LEU . 21.0 tp -108.96 118.04 35.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.31 164.61 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.29 178.75 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -83.33 25.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -127.56 -30.36 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.7 m -93.84 11.67 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' ' 58' ' ' ILE . 7.7 ptm180 -111.12 165.77 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 68' ' ' LYS . 3.9 mp -128.07 124.5 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -76.38 118.81 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.4 p-90 -156.75 157.91 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -140.51 162.58 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.5 p -72.99 155.6 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HA ' HD11 ' A' ' 58' ' ' ILE . 12.6 mttm -47.93 -38.5 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' CD ' ' A' ' 30' ' ' ARG . 47.5 t -66.61 -36.83 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.24 -66.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.842 0.353 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -127.55 158.36 37.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.7 t -62.08 160.99 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.89 0.11 29.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.8 mmp_? -122.27 -35.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.42 -8.45 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 49.66 44.64 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.72 ' O ' HG22 ' A' ' 27' ' ' THR . 5.7 mt-10 -86.77 173.52 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 t -85.01 100.31 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 51' ' ' LEU . 23.7 mt -84.07 31.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.9 -76.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -53.78 -41.1 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 78.2 mt -68.36 151.15 47.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -92.73 116.19 66.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.8 36.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 42' ' ' THR . 14.2 tmtt? -69.21 -58.9 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 6.4 t -75.78 -19.84 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 77.8 m-20 -86.7 47.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 99.1 m -111.05 120.7 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 29.8 t -66.04 112.61 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -59.3 -17.95 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.88 -63.55 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.93 19.81 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.9 m120 38.11 44.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -105.46 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.751 HD11 HD13 ' A' ' 35' ' ' LEU . 31.1 tp -111.61 114.69 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.91 150.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 28.6 p -67.62 178.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -83.6 12.56 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -112.37 -36.49 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.9 m -77.02 -14.09 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -83.57 163.07 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.0 mp -130.03 104.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.09 114.93 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 27.8 p-90 -155.01 144.75 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 45.3 mtm180 -133.36 165.4 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -76.53 159.62 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -39.56 -52.88 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG23 ' CD ' ' A' ' 30' ' ' ARG . 58.9 t -55.93 -56.3 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 7.2 m -57.39 -71.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 1.004 ' HB3' HD13 ' A' ' 58' ' ' ILE . 17.7 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.66 142.25 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -47.88 160.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -101.21 -4.68 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.931 ' NE ' HG23 ' A' ' 69' ' ' VAL . 1.4 mmm180 -119.81 -38.32 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' GLN . 31.0 p -118.68 5.5 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 32.49 54.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 27' ' ' THR . 4.9 pt-20 -88.45 -175.65 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -92.95 95.36 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 HD11 ' A' ' 51' ' ' LEU . 5.5 mt -85.95 30.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.77 -55.22 21.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -72.53 -59.59 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.9 mt -45.18 160.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 72.9 m -102.43 116.82 62.31 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.0 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -46.16 -49.49 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -84.16 -26.93 28.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.436 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 72.3 m-20 -82.55 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 87.3 m -104.22 121.13 42.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.6 t -68.44 113.75 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -57.0 -23.5 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.14 -65.46 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 p -108.8 19.52 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' CYS . 11.6 m-20 38.51 39.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -99.3 -176.15 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 HD13 ' A' ' 35' ' ' LEU . 22.8 tp -112.35 115.85 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.34 155.87 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -78.41 177.82 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -80.14 10.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.65 -9.44 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -116.19 25.66 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.734 HH22 ' NE2' ' A' ' 59' ' ' GLN . 7.9 ptm180 -126.16 167.04 15.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.523 HD11 ' HD2' ' A' ' 68' ' ' LYS . 4.3 mp -130.44 133.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.734 ' NE2' HH22 ' A' ' 57' ' ' ARG . 16.5 mm-40 -83.86 117.82 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.812 0.339 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 23.7 p-90 -156.08 143.43 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 55.8 mtt180 -132.6 168.04 18.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -71.58 169.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 58' ' ' ILE . 3.9 mmmm -58.16 -39.94 80.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.931 HG23 ' NE ' ' A' ' 30' ' ' ARG . 83.0 t -67.48 -35.86 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.8 m -74.35 -66.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.52 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.906 0.384 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -129.53 159.89 34.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' HG12 ' A' ' 52' ' ' VAL . 40.0 t -68.04 144.35 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -91.63 11.7 23.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 13.3 mmp_? -129.84 -39.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -115.26 -12.76 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 53.08 46.09 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.36 162.46 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.5 p -73.11 102.79 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.88 HD13 HD11 ' A' ' 51' ' ' LEU . 26.9 mt -80.16 39.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.32 -72.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -54.02 -36.14 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.836 HD22 HD21 ' A' ' 43' ' ' ASN . 21.3 mt -69.82 179.22 2.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -134.2 119.48 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.5 Cg_endo -69.76 -25.87 28.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.5 p -107.46 -22.82 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.836 HD21 HD22 ' A' ' 38' ' ' LEU . 67.1 m-20 -79.0 42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.8 m -114.04 115.15 27.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.437 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 20.7 t -59.94 113.1 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -60.56 -18.06 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.78 -64.33 2.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.7 p -105.58 20.55 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' CYS . 75.0 m-20 36.41 42.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -103.99 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.88 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -110.63 116.52 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.46 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -141.38 147.87 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -67.67 176.28 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -81.68 13.28 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.77 -28.67 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.8 m -95.02 17.79 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -124.49 160.55 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -131.21 99.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -58.03 145.03 37.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.775 0.322 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.5 p-90 -165.85 152.23 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 41.7 mtm180 -137.3 162.0 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.88 157.12 38.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 3.3 mtpm? -45.29 -45.61 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.3 -37.09 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 4.4 m -76.38 -64.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.8 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.855 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.52 139.27 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' CB ' ' HG ' ' A' ' 31' ' ' CYS . 12.2 t -47.29 156.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . -101.78 0.07 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.478 ' NH1' HG21 ' A' ' 69' ' ' VAL . 4.8 mmp_? -122.15 -33.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HG ' ' CB ' ' A' ' 28' ' ' CYS . 27.2 p -120.26 -8.18 9.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 2.7 mm-40 49.45 42.92 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' THR . 19.8 mm-40 -87.63 175.28 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 t -87.55 102.38 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.863 HD13 HD11 ' A' ' 51' ' ' LEU . 5.1 mt -88.4 27.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.01 -57.37 13.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -66.64 -46.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 20.4 mt -63.51 160.55 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 m -95.87 109.21 45.23 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.11 30.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -63.25 -51.2 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.1 p -86.52 -18.67 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 71.5 m-20 -83.27 36.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.7 m -102.56 122.13 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.7 t -67.28 113.21 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -58.1 -22.35 50.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -64.17 3.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -111.28 19.33 18.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' CYS . 20.2 m-20 41.34 40.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -99.31 -177.01 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.863 HD11 HD13 ' A' ' 35' ' ' LEU . 25.9 tp -110.59 116.68 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.42 153.28 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -76.97 174.15 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -74.54 3.89 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -106.86 -17.94 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.403 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 92.0 m -108.03 27.18 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -133.16 169.18 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.802 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.9 mp -135.3 117.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 57' ' ' ARG . 10.4 mm-40 -68.03 125.4 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.712 0.292 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 45.8 p-90 -158.04 159.85 36.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -145.9 168.49 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -71.24 170.26 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HD11 ' A' ' 58' ' ' ILE . 2.8 mmmm -61.95 -32.54 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' NH1' ' A' ' 30' ' ' ARG . 66.4 t -75.42 -29.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 m -85.95 -61.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.802 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.621 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.92 0.391 . . . . 0.0 110.858 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.28 133.64 55.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 30.9 t -48.44 142.04 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -91.45 13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.763 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmm180 -128.93 -41.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -116.14 -14.36 11.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 71.8 mm-40 59.48 48.68 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.79 177.78 6.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 t -91.34 99.99 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 26' ' ' ARG . 8.2 mt -81.84 33.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.49 -93.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -46.44 -39.27 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD21 ' NE ' ' A' ' 54' ' ' ARG . 16.9 mt -59.49 149.15 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -98.6 125.21 43.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' HG3' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.79 -50.73 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -36.83 -58.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.6 p -74.81 -30.83 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.469 HD21 HD22 ' A' ' 38' ' ' LEU . 81.9 m-20 -82.26 38.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.8 m -112.66 109.5 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ASN . 8.4 t -57.96 110.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -60.98 -17.33 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.4 -62.7 4.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.7 1.71 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' CYS . 13.1 m120 57.78 42.09 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -105.96 -177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 49.1 tp -113.62 118.96 35.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -137.83 172.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -93.87 179.58 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' NE ' HD21 ' A' ' 38' ' ' LEU . 71.4 mtm180 -83.06 27.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -128.23 -28.69 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.3 m -99.05 21.43 11.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.641 ' NH2' ' CD1' ' A' ' 65' ' ' TRP . 11.7 ptm180 -117.78 167.61 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.904 HD13 ' HB3' ' A' ' 71' ' ' SER . 3.8 mp -133.38 122.95 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.05 124.39 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.641 ' CD1' ' NH2' ' A' ' 57' ' ' ARG . 57.6 p-90 -156.61 160.89 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -142.87 162.17 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.5 165.48 23.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -56.95 -39.18 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.763 HG23 ' NE ' ' A' ' 30' ' ' ARG . 61.3 t -65.43 -35.68 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.27 -63.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.904 ' HB3' HD13 ' A' ' 58' ' ' ILE . 6.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.76 152.75 48.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -57.39 165.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -9.24 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -111.42 -36.5 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 22.7 p -118.29 -8.57 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.55 36.65 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 27' ' ' THR . 5.4 mm-40 -77.71 165.13 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 t -77.77 102.9 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.891 HD13 HD11 ' A' ' 51' ' ' LEU . 61.7 mt -80.93 36.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -68.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.38 -46.38 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 35' ' ' LEU . 79.0 mt -59.4 -178.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -141.53 127.2 10.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' THR . 5.9 tptm -51.92 -69.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 4.7 t -97.96 -8.87 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 39' ' ' SER . 11.4 m-20 -79.2 43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.411 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 97.1 m -118.74 120.41 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 27.1 t -60.4 114.27 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -59.7 -18.69 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.58 -66.83 1.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.6 p -104.3 25.45 10.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' CYS . 82.2 m-20 33.46 40.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.48 170.85 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.891 HD11 HD13 ' A' ' 35' ' ' LEU . 17.7 tp -101.44 116.82 33.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.51 155.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -76.55 178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 11.4 mtp-105 -80.02 13.16 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 -28.87 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.6 m -96.07 22.06 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.543 ' C ' HD12 ' A' ' 58' ' ' ILE . 11.0 ptm180 -121.93 166.2 14.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.5 mp -134.68 120.1 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.63 117.95 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' OE2' ' NH2' ' A' ' 66' ' ' ARG . 28.3 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 53.0 p-90 -154.17 163.95 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 52.9 mtm180 -145.51 167.89 21.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -74.82 168.89 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 58' ' ' ILE . 4.3 mmmm -54.65 -47.09 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.48 -41.49 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 3.1 m -69.17 -69.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.449 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 12.8 mmt85 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.862 0.363 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -128.19 153.5 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 32.3 t -57.48 150.37 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -96.81 10.4 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.863 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.7 mmm180 -128.73 -39.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.71 -11.19 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 28' ' ' CYS . 20.6 mm100 55.25 47.99 20.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 27' ' ' THR . 15.1 mm-40 -90.13 169.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -83.86 97.29 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 51' ' ' LEU . 12.0 mt -83.82 31.21 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -45.11 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -45.68 -42.12 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.9 163.1 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -105.24 117.36 58.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.71 -23.78 30.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -64.31 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -68.11 -20.38 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -89.86 49.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.553 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.1 m -116.55 118.57 32.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.5 t -63.67 112.58 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -58.59 -21.64 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.38 -64.92 3.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.04 17.27 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.0 m120 44.09 39.94 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -99.72 -174.77 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 35' ' ' LEU . 32.6 tp -113.03 123.88 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.36 167.59 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.29 178.91 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 1.1 ptm180 -84.15 21.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.0 -20.42 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.9 m -103.61 0.76 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.555 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 9.5 ptm180 -94.74 167.23 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.3 mp -134.59 125.03 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -76.69 119.86 21.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.8 p . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 47.6 p-90 -151.73 156.64 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -148.09 164.26 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -73.25 154.12 40.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -42.85 -45.17 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.863 HG23 ' NE ' ' A' ' 30' ' ' ARG . 57.5 t -62.87 -36.41 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.98 -62.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 001 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 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -174.15 157.22 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -166.54 167.8 15.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.796 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.77 140.15 3.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -148.33 161.96 40.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -160.13 176.74 11.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.48 139.58 3.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 8' ' ' LEU . 1.8 pt? -169.65 153.19 4.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.35 . . . . 0.0 110.941 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.9 mt -130.52 160.09 35.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -134.75 112.24 10.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.8 mt -97.35 134.44 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -151.22 110.7 3.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -123.77 173.98 7.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' HE3' ' CE1' ' A' ' 23' ' ' TYR . 16.1 ttmm -36.49 -46.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.08 -59.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.75 140.33 51.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -55.34 164.92 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -61.77 90.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.52 74.06 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 p -110.8 101.07 9.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.49 125.77 29.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 16.8 m170 67.66 48.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.452 ' CE1' ' HE3' ' A' ' 14' ' ' LYS . 67.6 t80 -84.07 38.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 59.6 p -144.76 138.35 27.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -127.01 161.59 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -124.2 98.71 5.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.56 141.18 50.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.556 ' N ' HD11 ' A' ' 35' ' ' LEU . 12.2 t -41.68 159.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.93 -1.29 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' HD3' HG23 ' A' ' 69' ' ' VAL . 12.7 mmp_? -119.21 -28.82 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.0 p -127.37 -8.77 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 50.62 49.51 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 27' ' ' THR . 26.0 mm-40 -89.63 171.15 9.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.4 p -80.69 96.63 6.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.706 HD13 HD11 ' A' ' 51' ' ' LEU . 10.6 mt -88.21 33.2 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.78 -68.02 1.89 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.492 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 28.7 mtp180 -56.05 -44.39 78.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD22 HD21 ' A' ' 43' ' ' ASN . 21.8 mt -62.15 169.37 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m -109.38 113.29 58.59 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.696 0.76 . . . . 0.0 110.84 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -31.92 19.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -58.44 -41.34 84.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 p -93.5 -25.21 17.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.524 HD21 HD22 ' A' ' 38' ' ' LEU . 76.6 m-20 -83.07 39.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.0 m -104.12 124.27 48.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.2 t -67.72 112.24 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -57.35 -19.87 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.37 -65.23 2.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.9 p -107.56 20.66 18.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 45' ' ' CYS . 45.4 m-80 37.86 40.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -99.39 -175.54 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -113.18 115.64 28.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.02 163.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -88.82 178.17 6.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -79.45 13.73 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -115.92 -25.0 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.4 m -101.27 21.11 14.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.91 167.32 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.725 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.8 mp -128.95 134.07 64.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -73.93 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -124.89 178.36 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.6 m -72.41 -175.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 t30 47.53 25.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.64 38.58 91.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 77.3 p -116.41 157.03 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.177 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 36.7 p-90 -150.43 148.61 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -134.89 162.82 31.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.5 p -72.16 154.13 41.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HA ' HD11 ' A' ' 58' ' ' ILE . 31.4 mttt -44.03 -46.45 8.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG23 ' HD3' ' A' ' 30' ' ' ARG . 41.4 t -60.6 -31.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.2 m -86.12 -66.01 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.725 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.1 m -62.56 -37.68 87.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -67.52 -156.3 0.64 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.473 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.55 24.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.71 2.273 . . . . 0.0 112.321 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.4 m -68.81 151.87 46.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.8 t -143.67 129.13 19.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.442 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -147.42 152.67 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -169.32 169.49 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.55 166.87 23.74 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -161.04 147.01 14.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -166.92 161.84 15.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -174.3 135.8 3.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 7' ' ' GLY . 10.2 mp -118.94 171.41 8.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.1 mt -128.23 171.61 11.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -137.44 133.59 34.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.8 mm -112.16 131.13 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.83 133.58 22.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.81 170.27 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -50.36 127.97 18.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.88 128.08 8.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.478 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.52 166.62 10.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -150.8 156.62 41.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.76 135.49 35.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.75 -99.9 2.55 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.9 t 38.56 43.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 110.848 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -49.97 -53.91 23.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -111.68 177.87 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -122.46 -47.93 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.0 t -55.77 119.13 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -159.2 154.66 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -106.97 91.03 3.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.743 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.3 149.43 52.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.523 ' N ' HD11 ' A' ' 35' ' ' LEU . 22.3 t -52.97 154.9 2.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.65 6.07 43.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.82 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.1 mmm180 -124.51 -38.66 2.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.2 p -117.38 -5.15 11.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 48.86 36.96 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.743 ' O ' HG22 ' A' ' 27' ' ' THR . 25.0 mm-40 -78.27 172.62 13.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -84.7 99.39 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 51' ' ' LEU . 9.8 mt -83.94 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.946 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -47.07 -80.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -52.58 -56.91 12.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.3 mt -49.07 148.44 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.2 t -95.07 123.41 57.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.653 0.739 . . . . 0.0 110.825 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -24.74 29.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -58.69 -71.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 t -65.32 -24.56 67.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -83.82 44.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.8 m -113.92 113.61 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASN . 22.9 t -56.44 111.74 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -60.2 -16.33 32.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.24 -63.27 2.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.436 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.0 p -107.97 17.02 22.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' CYS . 9.6 m120 42.47 41.74 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -103.78 172.49 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 35' ' ' LEU . 22.7 tp -102.65 115.29 30.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.29 162.47 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 28.7 p -80.49 179.24 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -82.6 10.22 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.69 -32.62 6.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.2 m -88.28 10.98 17.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 53' ' ' CYS . 0.9 OUTLIER -116.48 163.31 16.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.84 HD13 ' HB3' ' A' ' 71' ' ' SER . 5.0 mp -130.18 118.79 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.83 127.27 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 63' ' ' GLY . 10.0 mt-10 -94.8 129.93 41.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 60' ' ' GLU . 37.9 p -36.66 -47.96 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.44 -45.64 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 149.44 -38.84 0.93 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.0 p -65.6 -175.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.754 0.311 . . . . 0.0 111.135 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.43 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.3 p-90 -160.48 156.38 25.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -144.09 166.32 25.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.03 157.93 36.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.489 ' HA ' HD11 ' A' ' 58' ' ' ILE . 36.1 mttt -48.52 -44.29 36.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.82 HG23 ' NE ' ' A' ' 30' ' ' ARG . 43.0 t -62.1 -33.63 59.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m -81.72 -66.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.84 ' HB3' HD13 ' A' ' 58' ' ' ILE . 9.6 t -56.11 -41.81 75.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.88 143.5 16.72 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.9 p -170.63 149.48 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.3 m -51.97 -54.83 25.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.437 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t -174.98 170.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -171.87 174.39 4.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.66 160.55 12.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -173.46 159.55 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -165.46 175.17 9.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.48 114.18 0.97 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.7 mt -140.86 119.98 12.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.882 0.372 . . . . 0.0 110.97 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.23 174.54 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -156.49 129.81 8.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.6 mt -120.78 131.16 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.39 144.42 30.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -165.93 172.3 11.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -103.98 -67.95 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 175.65 111.7 0.29 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.83 105.92 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -102.39 -44.08 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -127.88 -45.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.45 -105.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.5 m -48.86 149.13 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -121.64 53.43 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -72.05 87.15 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -93.83 22.78 5.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.8 m -59.11 98.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 11.4 p30 -123.62 168.49 12.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -118.19 94.97 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -133.66 146.18 50.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.467 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 14.0 t -46.24 162.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.5 -3.37 22.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.549 ' HD3' HG23 ' A' ' 69' ' ' VAL . 1.5 mmp_? -121.52 -34.1 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 p -116.91 -7.43 11.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 29.7 mm-40 45.15 47.89 9.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 27' ' ' THR . 21.8 mt-10 -94.47 171.35 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.8 t -80.0 101.25 8.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 51' ' ' LEU . 7.5 mt -83.4 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.37 -80.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 24.6 ptt180 -46.28 -39.02 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' N ' ' HG3' ' A' ' 37' ' ' ARG . 15.2 mt -71.96 171.96 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.454 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 70.7 m -114.66 121.58 35.5 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.3 Cg_endo -69.8 -42.42 3.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -45.38 -60.74 1.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 t -74.05 -24.95 59.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.454 ' CG ' ' O ' ' A' ' 39' ' ' SER . 72.2 m-20 -84.13 46.72 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.408 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 90.9 m -114.68 115.98 27.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.511 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 30.4 t -63.05 112.82 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mtt-85 -60.59 -17.33 45.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.18 -64.06 2.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.9 p -106.95 20.28 19.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 45' ' ' CYS . 2.6 m-80 38.36 41.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.47 -177.25 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.865 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -112.11 112.12 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.74 144.69 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 p -64.47 177.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.66 12.36 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -113.58 -29.62 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 86.5 m -94.48 21.39 7.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.506 ' NE ' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -123.88 164.33 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.871 HD13 ' HB2' ' A' ' 71' ' ' SER . 5.1 mp -130.12 119.68 47.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -74.36 121.98 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 61' ' ' SER . 9.6 mt-10 -92.46 129.87 38.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.7 t -37.02 -47.93 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.451 ' C ' ' OD1' ' A' ' 62' ' ' ASN . 6.9 t-20 -48.92 -54.78 14.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.66 -33.69 0.53 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.8 p -73.36 179.4 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 34.5 p-90 -157.01 149.42 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -133.62 165.07 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.0 p -71.98 161.85 30.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.616 ' HD2' HD11 ' A' ' 58' ' ' ILE . 16.3 mmmt -50.67 -44.01 57.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.549 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.1 t -63.82 -37.68 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.3 m -75.21 -69.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.871 ' HB2' HD13 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -58.51 -41.34 85.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -50.58 143.64 12.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.26 33.55 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.6 m -97.18 99.42 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.1 t -113.59 102.71 10.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -161.97 172.47 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.361 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -172.13 174.46 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.12 -174.75 37.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -147.55 176.89 9.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.826 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -124.23 -62.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.31 147.77 16.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 tt -138.81 127.44 23.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.852 0.358 . . . . 0.0 110.939 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.538 ' O ' HD23 ' A' ' 8' ' ' LEU . 4.8 mp -94.1 177.16 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -143.06 133.11 24.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.4 mm -91.9 138.17 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.86 129.95 22.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.1 174.29 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -59.98 -48.11 83.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -166.38 -164.14 21.37 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 20' ' ' SER . . . -52.8 162.38 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -69.03 176.23 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.957 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 17' ' ' LYS . 22.5 mmm180 -31.19 130.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.34 -99.41 0.73 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 60.2 p -80.07 121.51 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -126.84 109.7 12.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -87.79 79.79 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' SER . 34.8 t80 -110.77 167.32 10.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' TYR . 31.9 m -37.54 148.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -174.75 172.49 2.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -114.68 93.46 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -130.08 149.86 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 52' ' ' VAL . 37.7 t -57.87 147.57 28.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.85 10.9 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HD2' HG23 ' A' ' 69' ' ' VAL . 10.0 mmt180 -131.36 -33.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 p -121.22 -12.5 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 54.65 47.17 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.461 ' O ' HG22 ' A' ' 27' ' ' THR . 8.7 mm-40 -89.6 173.35 8.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.5 p -88.77 96.14 10.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.741 HD13 HD11 ' A' ' 51' ' ' LEU . 8.6 mt -82.3 38.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.7 -56.76 22.48 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -67.33 -51.13 56.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.92 170.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.7 t -109.53 117.06 53.6 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.685 0.755 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.46 12.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -53.62 -49.44 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.5 p -84.03 -28.05 27.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -81.14 39.82 0.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.4 m -104.98 121.11 43.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ASN . 18.9 t -65.35 112.16 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -59.78 -17.84 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -64.63 2.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -107.16 19.8 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' CYS . 14.6 m-80 39.33 43.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -104.25 -175.59 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.741 HD11 HD13 ' A' ' 35' ' ' LEU . 25.6 tp -114.49 117.83 32.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.49 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -140.8 151.0 20.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.4 p -68.96 177.17 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -81.44 15.04 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' HE3' ' A' ' 68' ' ' LYS . 28.0 t70 -115.91 -35.28 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.1 m -88.35 18.86 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.494 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -123.91 168.83 12.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -132.75 126.31 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' HG3' ' NH1' ' A' ' 57' ' ' ARG . 36.6 mt-30 -79.83 99.94 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' SER . 24.9 mt-10 -67.14 154.99 39.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 19.9 m -37.18 -57.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -69.56 -175.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 45.73 2.81 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 47.3 p -136.47 155.62 49.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.767 0.318 . . . . 0.0 111.15 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 19.9 p-90 -149.37 147.52 28.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -133.01 167.86 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 p -72.76 153.2 41.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.481 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 37.4 mttt -44.95 -43.01 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HD2' ' A' ' 30' ' ' ARG . 60.0 t -62.81 -35.85 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.3 -66.78 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -40.63 77.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -73.48 -148.01 1.08 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.458 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 54.1 Cg_endo -69.73 148.25 64.86 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.707 2.271 . . . . 0.0 112.352 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.1 t -121.48 152.32 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -126.35 133.61 51.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.516 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p -174.62 161.85 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -163.26 177.0 9.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 -165.82 15.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.523 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -172.88 165.14 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 m -164.39 170.89 15.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.74 124.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -134.25 140.45 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.908 0.385 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 11' ' ' ILE . 4.2 pp -159.38 159.84 34.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -124.14 121.98 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD11 HD13 ' A' ' 9' ' ' LEU . 34.7 mm -104.67 145.43 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -144.92 108.78 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -146.7 163.4 36.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -115.65 151.6 34.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.31 -132.74 1.44 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.26 89.09 3.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.03 56.63 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 53.81 44.94 28.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.38 141.92 9.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.37 166.52 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.832 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -95.37 -47.09 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -44.81 -58.56 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -108.88 113.89 27.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.6 t -130.22 81.38 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -94.86 145.66 24.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 24.7 mmt180 -114.09 94.42 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.03 156.03 42.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.96 159.3 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.82 0.67 28.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.709 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.3 mmm180 -118.29 -37.21 3.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.14 -11.27 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 56.65 38.73 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.664 ' O ' HG22 ' A' ' 27' ' ' THR . 15.8 mt-10 -81.57 169.85 16.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.1 t -83.67 104.14 13.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.718 HD13 HD11 ' A' ' 51' ' ' LEU . 16.0 mt -87.26 34.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.26 -57.6 17.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -42.17 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 110.873 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD22 HD21 ' A' ' 43' ' ' ASN . 17.8 mt -72.76 144.1 47.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -86.08 121.26 72.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.306 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 42' ' ' THR . 8.1 tmtt? -40.8 -56.42 2.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.471 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 8.1 t -75.27 -25.09 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.425 HD21 HD22 ' A' ' 38' ' ' LEU . 79.7 m-20 -87.43 47.15 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 90.0 m -111.87 116.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASN . 16.0 t -61.73 112.72 2.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -58.94 -19.17 40.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.29 -65.25 2.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.3 p -106.4 20.53 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.2 m120 37.94 41.26 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -103.03 177.11 4.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 35' ' ' LEU . 25.0 tp -107.66 114.65 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.98 160.22 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.7 p -81.81 175.31 10.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 ppt_? -77.56 9.73 3.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -112.32 -27.57 8.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.0 m -97.56 16.44 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.549 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.3 OUTLIER -120.18 168.34 11.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.549 HD12 ' C ' ' A' ' 57' ' ' ARG . 4.3 mp -133.83 128.3 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' OE1' ' NH2' ' A' ' 57' ' ' ARG . 8.9 mm100 -81.16 122.56 27.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -94.78 139.5 31.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -41.7 -57.81 2.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 64' ' ' THR . 5.8 p30 -43.72 -35.93 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 135.5 -35.39 2.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 62' ' ' ASN . 81.3 p -63.18 178.16 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 33.5 p-90 -157.72 145.0 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 -134.84 163.81 28.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 p -71.7 158.99 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -47.07 -48.74 22.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.709 HG23 ' NE ' ' A' ' 30' ' ' ARG . 47.4 t -57.94 -38.08 64.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.2 m -75.69 -69.63 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.4 ' HB3' HD13 ' A' ' 58' ' ' ILE . 8.2 t -54.07 -43.6 70.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.44 -165.93 41.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 172.48 12.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 m -116.02 164.32 14.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.5 t -104.28 159.02 16.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.477 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -174.33 169.1 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -108.73 81.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.17 -159.19 19.32 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -151.63 162.52 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -152.8 160.43 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.62 115.16 1.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.7 76.04 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.671 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -37.76 153.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.57 77.53 1.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mt -102.82 141.41 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -151.0 135.06 16.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -174.25 146.55 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -63.29 -46.49 86.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.75 -179.5 45.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -81.85 163.62 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 16' ' ' ALA . 4.4 ptpt 31.87 51.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.2 mtt-85 -115.47 162.46 17.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.74 123.59 5.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.0 t -74.2 -60.08 2.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' NE2' ' H ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -58.86 172.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 46.22 48.28 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -77.98 -46.31 21.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.8 p -76.02 90.02 3.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.63 165.02 28.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -112.54 93.01 4.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.94 144.37 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -48.39 162.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.16 -4.19 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.093 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.431 ' HD2' HG23 ' A' ' 69' ' ' VAL . 13.6 mmp_? -117.69 -36.25 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.12 -7.05 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 48.38 39.02 11.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 27' ' ' THR . 42.1 mt-10 -80.72 172.38 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.0 p -83.2 101.96 11.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.852 HD13 HD11 ' A' ' 51' ' ' LEU . 10.3 mt -87.5 34.76 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.79 -63.71 5.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.447 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt85 -61.5 -44.95 96.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.1 mt -66.93 164.89 16.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.8 t -107.4 122.52 40.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.626 0.727 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -46.67 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.626 2.218 . . . . 0.0 112.391 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -43.34 -57.52 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -74.49 -29.68 61.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -83.69 46.02 1.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.0 m -111.49 115.44 29.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 49' ' ' ASN . 14.7 t -60.26 112.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -60.05 -17.79 41.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.46 -64.35 2.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 p -108.3 17.98 21.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.9 m120 42.87 41.02 2.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -102.64 176.52 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.852 HD11 HD13 ' A' ' 35' ' ' LEU . 18.7 tp -106.71 113.96 27.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -137.86 150.54 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 29.8 p -71.64 179.24 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mmm-85 -81.34 11.2 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.23 -24.56 9.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -99.43 21.65 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -129.86 169.18 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.976 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -128.31 126.08 65.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -78.51 103.21 8.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 61' ' ' SER . 13.5 mm-40 -77.22 151.95 34.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 60' ' ' GLU . 28.8 t -37.02 -61.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -65.67 -178.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.77 48.93 3.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.2 p -139.58 158.7 43.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.755 0.312 . . . . 0.0 111.174 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.414 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 31.9 p-90 -154.28 153.96 32.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -137.95 167.84 20.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.1 p -71.77 158.47 36.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.561 ' HA ' HD11 ' A' ' 58' ' ' ILE . 6.5 mtpp -50.3 -39.72 46.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG23 ' HD2' ' A' ' 30' ' ' ARG . 57.7 t -65.89 -36.08 76.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 m -77.04 -67.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.976 ' HB3' HD13 ' A' ' 58' ' ' ILE . 37.5 t -59.83 -38.92 83.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.71 141.9 46.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.79 1.58 4.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 73' ' ' PRO . 73.5 m -32.47 -68.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.5 p -67.05 98.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.508 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 m -157.46 174.12 15.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -164.77 177.63 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.31 -166.19 20.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -167.51 169.7 11.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -171.94 175.6 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.11 161.47 27.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 tt -142.51 129.7 20.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.842 0.354 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -145.27 168.62 20.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -163.87 157.84 19.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 12' ' ' LYS . 5.1 mp -91.76 153.24 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -167.27 130.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -166.46 163.7 17.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 71.2 mttt -36.43 -48.36 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.69 120.53 22.79 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -92.76 165.22 13.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 16' ' ' ALA . 29.8 mtmm -36.56 -55.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -107.82 -56.93 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.77 72.73 0.69 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.2 t -40.95 -60.88 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.828 0.347 . . . . 0.0 110.892 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.64 166.27 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -99.69 -57.07 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -168.79 176.88 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.4 p -37.79 150.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -155.83 166.47 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -117.82 96.48 5.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.814 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.99 148.2 52.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.3 t -48.3 164.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -109.2 -0.85 19.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.476 ' HA ' ' CZ ' ' A' ' 30' ' ' ARG . 1.3 mmp_? -122.1 -32.09 3.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.2 p -121.94 -7.94 8.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 27.7 mm-40 50.91 44.32 28.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.817 ' O ' HG22 ' A' ' 27' ' ' THR . 23.0 mt-10 -81.81 175.03 10.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.9 t -89.16 99.03 12.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.548 HD12 HD21 ' A' ' 51' ' ' LEU . 17.4 mt -86.16 28.09 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -49.77 -63.53 4.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 28.2 mtm105 -68.27 -37.72 80.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -71.4 143.38 50.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -85.52 123.8 72.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.314 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -39.94 -66.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -63.79 -28.36 69.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -85.45 45.73 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 93.1 m -112.61 118.75 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.54 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.8 t -62.93 112.33 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -58.8 -18.25 30.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.74 -63.9 2.6 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.14 20.38 18.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' CYS . 33.3 m120 39.33 41.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -101.78 171.98 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD21 HD12 ' A' ' 35' ' ' LEU . 17.5 tp -103.64 114.04 28.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.02 166.59 28.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 24.2 p -88.37 179.29 6.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -82.98 23.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -125.19 -29.17 3.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 97.2 m -97.19 19.29 13.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 58' ' ' ILE . 12.6 ptm180 -112.49 171.11 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -135.14 119.33 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.534 ' NE2' ' NH2' ' A' ' 57' ' ' ARG . 17.4 mm-40 -74.21 118.41 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -98.61 147.45 24.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.46 ' O ' ' C ' ' A' ' 62' ' ' ASN . 50.2 m -63.41 -55.74 21.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 61' ' ' SER . 23.8 t30 -33.27 -63.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.8 33.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 66.5 p -142.42 -176.25 4.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.155 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 26.5 p-90 -155.75 141.31 17.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 20.8 mtt180 -133.22 165.02 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -73.52 163.35 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 58' ' ' ILE . 7.5 mmmt -52.0 -40.7 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG23 ' HD3' ' A' ' 30' ' ' ARG . 86.9 t -63.03 -40.95 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.6 m -68.97 -69.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.7 t -54.59 -42.13 70.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.19 161.33 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.6 Cg_endo -69.72 -1.46 8.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 73' ' ' PRO . 2.6 t -33.83 143.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.6 t -71.0 119.43 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.453 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -173.39 141.71 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -119.31 172.94 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.88 169.51 42.66 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.5 p -162.42 171.44 17.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -164.32 175.63 9.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.36 -177.75 15.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 tp -158.27 140.2 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.1 138.16 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.6 163.42 27.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.3 mt -115.36 147.44 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.01 116.4 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.32 157.51 5.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -63.94 136.53 57.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -90.4 -85.45 1.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.449 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.657 ' HB1' ' HA ' ' A' ' 21' ' ' GLN . . . 74.59 36.8 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' ARG . 20.0 tptp -91.42 -38.74 12.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' LYS . 20.8 tpt180 -35.13 -49.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.68 -142.27 3.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.3 m -43.84 110.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.657 ' HA ' ' HB1' ' A' ' 16' ' ' ALA . 77.3 mt-30 -47.99 -52.34 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -77.29 83.22 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 24' ' ' SER . 18.5 p90 -47.9 -52.07 20.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.484 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 3.5 m -41.51 119.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -121.45 163.38 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -119.26 96.53 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.5 p -124.94 161.33 26.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 36.5 t -66.73 155.11 38.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -99.41 8.75 44.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.837 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.4 mmm180 -128.12 -35.32 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -122.05 -9.78 8.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 54.18 41.27 32.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 27' ' ' THR . 26.9 mt-10 -82.62 176.45 9.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.3 t -90.67 98.95 12.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.789 HD13 HD11 ' A' ' 51' ' ' LEU . 6.2 mt -79.48 44.24 0.6 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ARG . . . -60.61 -92.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' GLY . 2.1 tpm_? -37.45 -46.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -58.43 -179.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.4 m -125.86 115.66 24.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.9 Cg_endo -69.72 -16.4 37.72 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -67.81 -44.29 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.56 HG23 ' HD3' ' A' ' 41' ' ' LYS . 0.8 OUTLIER -97.3 -6.09 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.437 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 79.6 m-20 -94.73 46.08 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -113.98 115.42 27.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 49' ' ' ASN . 6.1 t -63.29 113.1 3.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -56.04 -23.38 32.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' CA ' ' HE ' ' A' ' 66' ' ' ARG . . . -67.1 -65.15 2.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' ASN . 8.2 p -108.96 20.25 18.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 45' ' ' CYS . 32.2 m120 36.47 40.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -101.66 174.54 5.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.814 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.789 HD11 HD13 ' A' ' 35' ' ' LEU . 41.2 tp -100.99 118.98 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -141.11 160.72 22.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.2 p -82.17 174.54 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.41 8.52 4.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.77 -28.3 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.7 m -94.94 21.41 7.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.87 161.25 28.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.1 mp -125.13 149.15 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -90.58 120.6 31.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -92.21 175.43 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.5 t -84.02 -28.88 27.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.878 ' O ' HG23 ' A' ' 64' ' ' THR . 1.2 m-80 -85.49 47.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.882 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 42.76 30.4 0.94 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 62' ' ' ASN . 82.8 p -121.56 175.47 6.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 111.159 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 27.6 p-90 -155.96 148.67 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.418 ' HE ' ' CA ' ' A' ' 47' ' ' GLY . 37.6 mtt180 -142.29 167.93 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.19 154.37 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.434 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 15.3 mtpt -45.06 -41.56 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' NE ' ' A' ' 30' ' ' ARG . 26.2 t -63.53 -39.1 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.7 m -73.17 -70.25 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.416 ' HB3' HD13 ' A' ' 58' ' ' ILE . 38.7 t -56.35 -41.47 76.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.82 157.49 30.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.06 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -115.51 144.99 43.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.4 p -44.06 111.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.478 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -172.14 156.32 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -162.44 176.29 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.95 -146.01 15.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t 71.5 42.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -107.81 175.14 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.7 124.23 2.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tp -154.05 108.82 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.937 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -172.95 157.7 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 11' ' ' ILE . 21.6 tp10 -165.29 151.89 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.462 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 4.7 mp -94.99 150.49 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 106.81 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 tpt85 -156.39 146.66 21.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -98.37 44.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -153.08 -175.53 24.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.495 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.5 170.85 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -54.93 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -86.93 111.93 21.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.41 101.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -96.43 -59.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.87 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -76.33 84.4 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -143.96 130.42 19.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -167.3 168.5 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -53.2 132.85 39.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -142.01 150.86 41.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -126.19 98.85 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.756 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -131.23 155.56 46.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.506 ' SG ' HG12 ' A' ' 52' ' ' VAL . 15.0 t -58.97 161.21 5.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.75 0.48 28.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -123.31 -33.55 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 28.9 p -119.01 -9.39 10.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.418 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 53.72 34.72 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.756 ' O ' HG22 ' A' ' 27' ' ' THR . 11.4 mm-40 -72.75 167.81 20.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.8 m -84.92 98.34 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.663 HD13 HD11 ' A' ' 51' ' ' LEU . 11.6 mt -83.14 33.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.95 -69.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 37' ' ' ARG . 1.3 tmt_? -61.6 -47.54 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 43' ' ' ASN . 46.0 mt -55.13 178.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -145.7 138.55 13.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.599 ' HB3' HD13 ' A' ' 51' ' ' LEU . 53.6 Cg_endo -69.76 -20.3 35.03 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -37.8 -66.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -100.1 -13.3 19.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 38' ' ' LEU . 17.8 m-20 -82.24 40.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.569 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.2 m -115.17 119.71 37.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.572 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 8.8 t -67.24 112.95 4.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 -60.25 -19.93 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.71 -62.5 4.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.0 p -109.66 13.05 23.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 45' ' ' CYS . 12.7 m120 46.6 43.36 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -107.86 176.0 5.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.663 HD11 HD13 ' A' ' 35' ' ' LEU . 21.1 tp -102.29 116.67 33.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -135.47 163.8 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.74 177.07 9.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' NE ' HD21 ' A' ' 38' ' ' LEU . 83.7 mtm180 -82.63 15.7 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -115.46 -35.64 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' LYS . 61.5 m -81.67 -10.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.59 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 8.8 ptm180 -87.16 155.88 19.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.1 mp -127.73 128.49 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' NE2' HH22 ' A' ' 57' ' ' ARG . 8.4 mm-40 -74.85 114.69 13.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -93.65 170.7 9.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.4 t -78.49 -25.45 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 64' ' ' THR . 13.0 t-20 -83.89 47.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.39 25.6 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 62' ' ' ASN . 36.6 p -123.63 174.77 7.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 111.178 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.59 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 35.6 p-90 -152.53 149.92 29.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 14.6 mtt85 -140.0 166.2 25.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -73.33 163.94 27.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' CYS . 18.3 mmtp -42.87 -53.14 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.3 t -57.53 -58.49 5.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.486 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 11.4 m -54.38 -64.67 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.769 ' HB3' HD13 ' A' ' 58' ' ' ILE . 1.2 p -37.58 -51.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.427 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -87.87 -141.21 7.2 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 54.0 Cg_endo -69.72 135.74 31.33 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.3 t -129.79 -43.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -103.54 41.48 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.447 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -169.35 132.5 1.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 110.895 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 p -170.58 174.97 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.45 123.95 1.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -173.17 128.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -167.21 139.23 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.44 110.88 0.42 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 8' ' ' LEU . 4.0 tt -143.72 145.22 32.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.3 pp -162.72 150.28 13.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -168.99 124.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.5 mt -115.86 131.8 67.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -153.03 131.36 12.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -167.79 153.72 7.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -87.64 85.04 7.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.32 58.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.78 -54.17 2.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.37 . . . . 0.0 111.121 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -123.73 147.75 47.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -49.59 162.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.7 66.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.7 t -145.83 107.98 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -83.34 -44.6 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -158.25 132.46 8.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -85.53 -52.63 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.3 m -64.4 150.1 47.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -170.23 145.13 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HE ' ' CG ' ' A' ' 40' ' ' PRO . 9.0 mmm180 -114.51 94.35 4.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -130.21 152.89 49.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 19.3 t -56.86 157.32 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -100.32 2.12 42.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.069 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 14.6 mmp_? -123.51 -38.4 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 25.9 p -117.81 -6.79 11.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.463 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 39.4 mm-40 48.22 50.49 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.655 ' O ' HG22 ' A' ' 27' ' ' THR . 3.5 pt-20 -89.24 170.9 10.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.8 t -78.4 95.59 5.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.649 HD13 HD11 ' A' ' 51' ' ' LEU . 20.9 mt -83.34 35.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.02 -92.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.3 mtm-85 -45.03 -42.63 8.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD2' ' HE ' ' A' ' 54' ' ' ARG . 19.8 mt -52.02 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 14.7 m -104.61 98.97 16.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.694 0.759 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CG ' ' HE ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 -36.56 10.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mmtm -53.42 -55.97 20.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -78.53 -24.25 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' SER . 49.6 m-20 -77.59 43.8 0.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.2 m -107.11 114.62 28.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.49 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 9.0 t -61.37 112.38 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -60.32 -21.4 61.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.92 -64.49 3.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.5 p -108.31 15.5 23.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 45' ' ' CYS . 28.1 m-80 44.83 42.64 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -105.55 -174.68 2.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.649 HD11 HD13 ' A' ' 35' ' ' LEU . 33.2 tp -111.35 113.23 25.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.02 146.74 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.12 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -66.01 176.12 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CZ ' ' HB2' ' A' ' 54' ' ' ARG . 18.8 mtm105 -80.95 11.16 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.82 -30.53 7.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.2 -13.94 48.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 11.8 ptm180 -84.71 158.0 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.605 HD11 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mp -125.47 108.4 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -56.26 103.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.3 m -38.26 -59.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.519 ' ND2' ' H ' ' A' ' 63' ' ' GLY . 6.8 t30 -69.5 -174.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.519 ' H ' ' ND2' ' A' ' 62' ' ' ASN . . . -79.64 48.15 3.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.2 p -139.21 162.59 34.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.593 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 29.3 p-90 -150.91 150.89 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 43.6 mtt180 -137.99 164.96 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.5 p -73.01 158.51 35.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.605 ' CD ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -41.67 -50.61 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.39 -49.59 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 6.0 m -65.12 -72.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.414 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.4 m -54.77 -37.37 65.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -38.46 123.06 1.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.52 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.81 158.74 55.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.336 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 67.4 m 36.98 43.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' GLY . 6.2 t -115.25 41.74 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 t -174.47 160.28 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -169.74 163.31 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.88 -105.33 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t 61.26 44.86 9.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -73.26 170.8 14.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.54 165.19 22.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -132.75 167.96 19.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.1 pp -150.02 174.07 13.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -149.62 145.4 26.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.7 mt -118.46 149.78 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.56 140.03 9.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.55 165.11 27.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.23 124.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.03 -129.25 4.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.24 133.81 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 111.081 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -50.68 -35.43 30.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' N ' ' HG2' ' A' ' 17' ' ' LYS . 29.2 ttt180 -134.9 96.43 3.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.98 -174.68 21.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.0 t -174.16 146.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 110.858 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -107.29 165.8 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 22' ' ' HIS . 11.4 p80 -83.69 83.21 7.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.27 92.47 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -75.94 99.76 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 26' ' ' ARG . 7.5 t0 -140.93 160.65 39.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 61.5 mmt-85 -127.54 98.21 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.45 147.84 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.6 t -54.58 162.17 1.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' NH2' ' A' ' 30' ' ' ARG . . . -102.55 -3.76 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.083 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.513 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.4 mmp_? -119.65 -34.43 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 32' ' ' GLN . 21.6 p -122.57 2.54 9.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER 35.43 47.15 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 27' ' ' THR . 3.8 mm-40 -86.33 177.83 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 p -85.57 99.21 11.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.892 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -83.38 34.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.5 -81.18 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.6 -51.37 56.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.7 mt -55.5 153.74 7.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 69.1 m -95.3 113.35 61.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.653 0.739 . . . . 0.0 110.832 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -45.04 -52.35 9.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.3 p -79.4 -26.89 41.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 70.5 m-20 -80.29 40.84 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.409 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 92.7 m -104.62 121.12 42.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.513 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 15.4 t -66.48 111.81 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -58.88 -18.94 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.97 -61.13 4.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 7.3 p -110.49 16.55 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' CYS . 31.0 m120 42.75 39.13 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -102.08 179.67 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.892 HD11 HD13 ' A' ' 35' ' ' LEU . 21.9 tp -108.4 113.33 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.16 150.23 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.6 176.24 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.22 8.84 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -111.3 -22.57 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 96.3 m -101.76 23.83 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.495 ' CZ ' ' OE1' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -129.37 164.37 23.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.2 mp -127.28 144.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 2.1 mp0 -77.32 130.09 36.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -122.62 -175.94 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -77.7 -175.48 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 46.2 25.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 60.17 37.6 93.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.0 p -112.02 170.3 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.334 . . . . 0.0 111.155 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 42.1 p-90 -156.37 155.94 33.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -144.68 166.56 24.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.6 p -75.14 154.3 37.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 19.6 mtpt -44.52 -40.88 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.513 HG23 ' CD ' ' A' ' 30' ' ' ARG . 66.3 t -62.71 -42.69 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -68.41 -69.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -55.0 -45.88 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -49.91 166.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.91 3.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.677 2.251 . . . . 0.0 112.394 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 m 61.52 38.03 16.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.1 t -122.54 81.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -173.99 174.33 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 m -142.94 177.23 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.08 164.38 36.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -167.24 158.77 12.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m -148.55 176.65 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.56 137.71 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 mt -134.84 167.14 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 pp -159.45 160.19 34.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -156.81 117.56 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.3 mt -111.86 119.7 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -127.99 133.38 49.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -162.29 155.45 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -87.89 152.39 22.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.98 109.1 1.84 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -61.75 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? 72.48 45.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -171.78 139.4 1.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -38.3 -44.0 1.56 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -99.65 113.52 26.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.373 . . . . 0.0 110.823 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.61 -50.36 37.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -57.19 87.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.67 163.1 11.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.2 t -124.86 102.01 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.819 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -139.75 133.95 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.2 mmm-85 -123.4 94.07 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.861 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -130.31 157.79 41.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -60.55 158.82 11.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.37 1.04 29.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.779 ' NH1' HG23 ' A' ' 69' ' ' VAL . 12.4 mmm-85 -118.55 -35.03 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.8 p -122.77 -10.78 8.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 54.69 52.44 12.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.861 ' O ' HG22 ' A' ' 27' ' ' THR . 33.8 mm-40 -92.75 175.52 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -83.69 98.68 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.79 HD13 HD11 ' A' ' 51' ' ' LEU . 31.2 mt -83.24 33.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.19 -50.7 31.79 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -70.67 -41.6 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD21 ' HG2' ' A' ' 54' ' ' ARG . 17.5 mt -76.55 169.2 18.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 49.4 m -98.86 101.55 12.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.684 0.754 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 39' ' ' SER . 54.2 Cg_endo -69.71 -27.37 26.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -63.53 -49.97 71.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.406 HG22 ' CB ' ' A' ' 39' ' ' SER . 10.0 t -86.59 -14.65 42.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.438 ' HB2' ' HA ' ' A' ' 40' ' ' PRO . 69.0 m-20 -84.14 48.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -106.23 118.73 37.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 10.9 t -64.36 112.78 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -58.09 -21.62 46.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.77 -65.43 2.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.448 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.2 p -108.34 21.32 17.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' CYS . 25.3 m120 37.78 42.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -105.67 174.85 5.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.79 HD11 HD13 ' A' ' 35' ' ' LEU . 28.4 tp -104.11 115.03 29.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -133.5 161.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.1 p -80.47 179.01 7.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HG2' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.04 3.95 21.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.37 -30.21 9.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 95.5 m -91.37 20.54 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -119.41 171.61 8.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.89 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.5 mp -134.63 109.67 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -65.59 113.68 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -87.81 178.95 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ASN . 3.0 m -92.01 -59.28 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' SER . 2.8 t30 -33.9 -57.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 150.23 34.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 72.3 p -139.83 -177.63 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 28.6 p-90 -157.45 145.16 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -139.55 164.48 29.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -74.57 161.71 29.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -52.8 -34.88 55.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.779 HG23 ' NH1' ' A' ' 30' ' ' ARG . 94.0 t -69.49 -30.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.3 m -86.9 -63.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.89 ' HB3' HD13 ' A' ' 58' ' ' ILE . 29.1 t -63.41 -41.0 98.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.811 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.43 -155.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 109.39 2.29 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 42.5 t -109.44 102.78 11.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 m -161.62 109.21 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.482 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -172.94 162.61 4.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.393 . . . . 0.0 110.817 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -173.41 169.6 4.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 159.68 17.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.532 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -171.1 155.53 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -161.26 175.38 12.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.22 149.46 10.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.0 mt -150.25 170.91 17.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 9' ' ' LEU . 3.5 pp -160.92 175.49 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -155.21 148.61 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.4 mt -116.72 142.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -142.21 146.8 35.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -152.58 179.38 8.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -80.24 -37.16 33.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . 131.09 159.4 9.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.78 139.47 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -23.72 63.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -57.83 99.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.31 -175.46 21.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -71.75 143.41 49.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -56.09 -42.76 77.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -80.58 46.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -46.75 -56.33 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -61.53 122.09 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -140.08 -179.94 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -109.52 92.53 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.52 138.26 51.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -43.16 160.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.56 2.44 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' CD ' HG23 ' A' ' 69' ' ' VAL . 10.2 mmp_? -124.53 -30.4 3.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -123.87 -9.48 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.4 OUTLIER 54.01 35.66 22.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.77 ' O ' HG22 ' A' ' 27' ' ' THR . 20.1 mt-10 -71.21 179.74 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.6 t -96.66 98.79 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 51' ' ' LEU . 11.0 mt -84.8 42.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.33 -60.95 6.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mtt85 -85.4 24.61 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.8 mt -120.49 160.07 23.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -97.93 105.39 27.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -30.07 22.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.709 2.273 . . . . 0.0 112.315 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -58.76 -53.5 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.1 p -81.42 -22.01 38.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -84.76 35.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.435 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.5 m -105.26 120.62 42.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.528 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 14.5 t -63.55 114.36 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -57.88 -21.42 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.14 2.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.5 p -106.8 25.26 11.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 48' ' ' CYS . 34.0 m120 33.52 36.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 4.1 m-70 -95.0 177.95 5.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.946 HD11 HD13 ' A' ' 35' ' ' LEU . 21.0 tp -108.96 118.04 35.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.31 164.61 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.29 178.75 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -83.33 25.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -127.56 -30.36 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.7 m -93.84 11.67 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' C ' HD12 ' A' ' 58' ' ' ILE . 7.7 ptm180 -111.12 165.77 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 68' ' ' LYS . 3.9 mp -128.07 124.5 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -76.38 118.81 19.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -94.27 174.83 6.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -50.59 -64.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.663 ' H ' ' ND2' ' A' ' 62' ' ' ASN . 0.1 OUTLIER -74.13 -173.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.91 44.91 1.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 60.5 p -127.05 159.27 34.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 111.138 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.528 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.4 p-90 -156.75 157.91 35.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -140.51 162.58 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 27.5 p -72.99 155.6 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HA ' HD11 ' A' ' 58' ' ' ILE . 12.6 mttm -47.93 -38.5 16.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.422 HG23 ' CD ' ' A' ' 30' ' ' ARG . 47.5 t -66.61 -36.83 78.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.24 -66.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.6 t -58.26 -45.72 87.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.12 -170.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -39.16 6.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.4 m -130.73 163.55 27.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.3 m -129.35 157.69 41.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.479 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -174.26 151.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -174.87 174.1 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.51 147.22 4.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.6 p -170.82 160.38 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.59 164.97 10.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.73 151.56 7.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 8' ' ' LEU . 1.9 pt? -174.02 154.42 2.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.962 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 mt -144.24 176.77 9.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -171.38 133.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.7 mt -110.22 148.25 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -151.37 151.53 31.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -158.36 162.06 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 15' ' ' GLY . 10.6 ptpt -66.25 -50.39 63.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 14' ' ' LYS . . . -168.84 146.89 10.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.33 -53.2 38.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -46.14 169.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -91.53 -59.01 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.18 76.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.9 p -85.04 -50.12 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -117.16 105.44 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -45.89 154.64 0.22 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 43.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.3 m -74.9 86.96 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -135.46 175.07 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -103.2 92.96 4.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -127.55 158.36 37.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 16.7 t -62.08 160.99 11.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.89 0.11 29.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' CD ' HG23 ' A' ' 69' ' ' VAL . 13.8 mmp_? -122.27 -35.44 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.42 -8.45 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 3.6 mp0 49.66 44.64 24.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.72 ' O ' HG22 ' A' ' 27' ' ' THR . 5.7 mt-10 -86.77 173.52 9.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.0 t -85.01 100.31 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.751 HD13 HD11 ' A' ' 51' ' ' LEU . 23.7 mt -84.07 31.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.9 -76.63 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -53.78 -41.1 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 78.2 mt -68.36 151.15 47.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.3 t -92.73 116.19 66.09 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.8 36.73 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.309 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 42' ' ' THR . 14.2 tmtt? -69.21 -58.9 3.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.473 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 6.4 t -75.78 -19.84 58.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 77.8 m-20 -86.7 47.18 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 99.1 m -111.05 120.7 43.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.57 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 29.8 t -66.04 112.61 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.8 mtp85 -59.3 -17.95 33.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.88 -63.55 2.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.8 p -108.93 19.81 19.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.9 m120 38.11 44.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -105.46 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.751 HD11 HD13 ' A' ' 35' ' ' LEU . 31.1 tp -111.61 114.69 27.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.91 150.39 25.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 28.6 p -67.62 178.64 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -83.6 12.56 5.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -112.37 -36.49 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 56.9 m -77.02 -14.09 59.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -83.57 163.07 20.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.004 HD13 ' HB3' ' A' ' 71' ' ' SER . 4.0 mp -130.03 104.65 10.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -58.09 114.93 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' GLY . 11.8 mm-40 -90.06 129.06 36.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.5 p -39.72 -43.14 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -52.61 -42.09 64.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . 142.95 -33.56 1.83 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.7 p -74.18 -179.59 3.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.57 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 27.8 p-90 -155.01 144.75 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 45.3 mtm180 -133.36 165.4 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.6 p -76.53 159.62 30.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' A' ' 58' ' ' ILE . 18.7 mmtp -39.56 -52.88 2.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG23 ' CD ' ' A' ' 30' ' ' ARG . 58.9 t -55.93 -56.3 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 7.2 m -57.39 -71.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 1.004 ' HB3' HD13 ' A' ' 58' ' ' ILE . 17.7 t -42.91 -46.71 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -47.79 173.44 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.433 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 4.95 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.254 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 m 68.29 42.18 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.0 m -93.76 107.91 19.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.5 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -154.9 131.41 10.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.393 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -153.32 168.74 25.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.49 58.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -100.24 151.7 21.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -164.49 164.9 21.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.83 105.29 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.536 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -163.57 158.6 20.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 9' ' ' LEU . 3.0 pp -172.84 144.96 1.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -138.06 136.85 37.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.3 mt -117.61 132.48 67.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -142.39 119.61 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -138.21 127.91 25.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -48.67 22.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 139.68 -85.96 0.21 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 58.85 45.53 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.825 0.345 . . . . 0.0 111.077 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.04 -49.13 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -68.4 165.35 18.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -40.35 -42.16 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.0 p -165.24 122.99 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 0.0 110.886 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -101.36 114.21 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.422 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 35.1 p-80 -83.67 121.4 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -91.58 85.81 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.7 m -160.91 148.15 15.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.31 171.31 15.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -125.08 98.74 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.8 OUTLIER -129.66 142.25 50.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 15.4 t -47.88 160.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -101.21 -4.68 26.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.931 ' NE ' HG23 ' A' ' 69' ' ' VAL . 1.4 mmm180 -119.81 -38.32 2.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' GLN . 31.0 p -118.68 5.5 11.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.0 OUTLIER 32.49 54.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 27' ' ' THR . 4.9 pt-20 -88.45 -175.65 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -92.95 95.36 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.78 HD13 HD11 ' A' ' 51' ' ' LEU . 5.5 mt -85.95 30.84 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.77 -55.22 21.6 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -72.53 -59.59 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.9 mt -45.18 160.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.402 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 72.9 m -102.43 116.82 62.31 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.642 0.734 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.0 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -46.16 -49.49 16.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -84.16 -26.93 28.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.436 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 72.3 m-20 -82.55 37.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 87.3 m -104.22 121.13 42.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.6 t -68.44 113.75 6.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -57.0 -23.5 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.14 -65.46 2.84 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.7 p -108.8 19.52 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 45' ' ' CYS . 11.6 m-20 38.51 39.71 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -99.3 -176.15 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 HD13 ' A' ' 35' ' ' LEU . 22.8 tp -112.35 115.85 29.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.34 155.87 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -78.41 177.82 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -80.14 10.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -115.65 -9.44 11.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 84.9 m -116.19 25.66 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.734 HH22 ' NE2' ' A' ' 59' ' ' GLN . 7.9 ptm180 -126.16 167.04 15.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.523 HD11 ' HD2' ' A' ' 68' ' ' LYS . 4.3 mp -130.44 133.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.734 ' NE2' HH22 ' A' ' 57' ' ' ARG . 16.5 mm-40 -83.86 117.82 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -91.03 166.06 13.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 62' ' ' ASN . 15.6 t -73.71 -61.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 61' ' ' SER . 56.0 m-20 -34.17 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.53 32.43 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 p -133.68 -178.36 4.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.118 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.438 ' CE3' ' HB2' ' A' ' 57' ' ' ARG . 23.7 p-90 -156.08 143.43 19.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 55.8 mtt180 -132.6 168.04 18.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 24.8 p -71.58 169.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.523 ' HD2' HD11 ' A' ' 58' ' ' ILE . 3.9 mmmm -58.16 -39.94 80.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.931 HG23 ' NE ' ' A' ' 30' ' ' ARG . 83.0 t -67.48 -35.86 74.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.149 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 1.8 m -74.35 -66.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.52 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.2 t -55.43 -43.92 75.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -53.4 153.84 7.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.22 11.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.2 m -106.23 105.69 15.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 t -124.21 98.24 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.509 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 p -70.27 -61.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -175.0 174.16 2.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.18 141.82 3.23 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -171.0 159.06 5.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -169.32 171.14 8.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.683 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 165.97 138.33 2.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD22 ' C ' ' A' ' 7' ' ' GLY . 4.0 mm? -126.39 149.13 49.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.3 mp -101.57 147.69 26.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -137.58 124.95 21.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.3 mt -98.66 150.46 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -166.33 115.84 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -145.59 166.99 24.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -35.06 -53.93 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.96 79.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.69 144.63 30.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.359 . . . . 0.0 111.066 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -157.1 142.61 17.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' LYS . 29.8 ttt180 -34.89 139.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.15 -161.93 21.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.2 p -45.55 118.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.19 74.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -113.08 92.57 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -97.96 -46.56 5.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -67.72 108.9 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -124.34 162.6 23.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -115.16 93.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -129.53 159.89 34.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.46 ' SG ' HG12 ' A' ' 52' ' ' VAL . 40.0 t -68.04 144.35 55.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' CZ ' ' A' ' 30' ' ' ARG . . . -91.63 11.7 23.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.057 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CZ ' ' O ' ' A' ' 29' ' ' ALA . 13.3 mmp_? -129.84 -39.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.8 p -115.26 -12.76 11.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 53.08 46.09 27.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -98.36 162.46 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.5 p -73.11 102.79 3.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.88 HD13 HD11 ' A' ' 51' ' ' LEU . 26.9 mt -80.16 39.45 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.32 -72.95 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.461 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -54.02 -36.14 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.361 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.836 HD22 HD21 ' A' ' 43' ' ' ASN . 21.3 mt -69.82 179.22 2.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.5 m -134.2 119.48 14.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.649 0.738 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.405 ' HA ' ' HB2' ' A' ' 43' ' ' ASN . 53.5 Cg_endo -69.76 -25.87 28.16 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -49.66 -42.43 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.5 p -107.46 -22.82 12.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.836 HD21 HD22 ' A' ' 38' ' ' LEU . 67.1 m-20 -79.0 42.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.8 m -114.04 115.15 27.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.437 ' N ' ' CH2' ' A' ' 65' ' ' TRP . 20.7 t -59.94 113.1 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtt-85 -60.56 -18.06 50.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.78 -64.33 2.49 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.7 p -105.58 20.55 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' CYS . 75.0 m-20 36.41 42.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -103.99 -177.58 3.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.88 HD11 HD13 ' A' ' 35' ' ' LEU . 27.5 tp -110.63 116.52 31.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.46 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -141.38 147.87 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.9 p -67.67 176.28 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -81.68 13.28 3.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -113.77 -28.67 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 91.8 m -95.02 17.79 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' HB3' ' CZ3' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -124.49 160.55 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 68' ' ' LYS . 4.9 mp -131.21 99.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 65' ' ' TRP . 0.0 OUTLIER -58.03 145.03 37.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -113.1 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 t -95.81 -11.12 27.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -90.25 35.43 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.87 30.92 46.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 62' ' ' ASN . 77.7 p -139.15 -177.29 4.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.775 0.322 . . . . 0.0 111.138 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' CH2' ' N ' ' A' ' 45' ' ' CYS . 50.5 p-90 -165.85 152.23 9.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HB3' ' CB ' ' A' ' 70' ' ' CYS . 41.7 mtm180 -137.3 162.0 34.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.88 157.12 38.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 3.3 mtpm? -45.29 -45.61 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.3 -37.09 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.435 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 4.4 m -76.38 -64.44 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -60.79 -43.37 98.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.94 -149.51 0.85 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 96.05 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.1 p -56.37 -56.36 22.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 95.3 p -139.95 148.98 42.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -167.52 152.14 6.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -170.46 173.27 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.18 178.68 47.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.496 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -174.15 153.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 p -158.22 175.69 13.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.741 ' C ' HD22 ' A' ' 8' ' ' LEU . . . 133.9 109.04 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 7' ' ' GLY . 3.1 mm? -124.02 125.43 44.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.882 0.372 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.13 -177.0 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -139.5 157.44 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.2 mp -98.37 140.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -146.48 153.12 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -168.46 132.43 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 17.9 mttp -40.94 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.97 42.19 5.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.69 146.18 36.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.52 147.28 25.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 44.15 28.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.89 134.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -169.71 118.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.913 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -133.06 155.81 48.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 45.65 40.09 5.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 41.4 p90 -106.45 44.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.9 m -89.2 -55.42 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -164.83 174.39 10.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -128.81 100.26 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -127.52 139.27 52.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.448 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 12.2 t -47.29 156.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' NE ' ' A' ' 30' ' ' ARG . . . -101.78 0.07 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.478 ' NH1' HG21 ' A' ' 69' ' ' VAL . 4.8 mmp_? -122.15 -33.54 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.26 -8.18 9.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 2.7 mm-40 49.45 42.92 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' O ' HG22 ' A' ' 27' ' ' THR . 19.8 mm-40 -87.63 175.28 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 t -87.55 102.38 14.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.863 HD13 HD11 ' A' ' 51' ' ' LEU . 5.1 mt -88.4 27.37 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.01 -57.37 13.08 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -66.64 -46.83 74.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 20.4 mt -63.51 160.55 16.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.5 m -95.87 109.21 45.23 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.659 0.742 . . . . 0.0 110.824 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.11 30.12 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -63.25 -51.2 67.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.1 p -86.52 -18.67 30.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 38' ' ' LEU . 71.5 m-20 -83.27 36.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.476 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 89.7 m -102.56 122.13 43.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 49' ' ' ASN . 5.7 t -67.28 113.21 5.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -58.1 -22.35 50.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.32 -64.17 3.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -111.28 19.33 18.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.51 ' N ' ' O ' ' A' ' 45' ' ' CYS . 20.2 m-20 41.34 40.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -99.31 -177.01 3.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.863 HD11 HD13 ' A' ' 35' ' ' LEU . 25.9 tp -110.59 116.68 31.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.42 153.28 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.0 p -76.97 174.15 10.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -74.54 3.89 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -106.86 -17.94 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.403 ' C ' ' HG2' ' A' ' 68' ' ' LYS . 92.0 m -108.03 27.18 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -133.16 169.18 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.802 HD13 ' HB2' ' A' ' 71' ' ' SER . 4.9 mp -135.3 117.48 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 57' ' ' ARG . 10.4 mm-40 -68.03 125.4 26.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -93.81 132.45 38.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.4 m -41.21 -48.73 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -47.95 -43.93 29.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 146.09 -34.41 1.43 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 71.1 p -72.77 -175.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.292 . . . . 0.0 111.167 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 45.8 p-90 -158.04 159.85 36.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -145.9 168.49 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.3 p -71.24 170.26 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HD11 ' A' ' 58' ' ' ILE . 2.8 mmmm -61.95 -32.54 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' NH1' ' A' ' 30' ' ' ARG . 66.4 t -75.42 -29.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 m -85.95 -61.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.802 ' HB2' HD13 ' A' ' 58' ' ' ILE . 1.7 m -69.17 -35.04 75.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.37 172.23 52.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.52 10.19 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.367 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.6 p -118.73 94.21 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.8 m -123.9 88.1 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.502 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -174.89 146.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -173.55 173.11 3.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.29 157.08 8.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -163.4 131.57 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -169.62 130.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.75 76.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.539 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 HD23 ' C ' ' A' ' 8' ' ' LEU . 4.1 tt -129.07 126.72 40.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mt -146.42 125.85 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -157.34 107.61 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 12' ' ' LYS . 59.8 mt -116.65 152.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' HG22 ' A' ' 11' ' ' ILE . 7.9 pttt -170.58 132.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -173.56 140.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 13' ' ' ARG . 5.0 ttpm? -101.91 94.83 6.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.11 81.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.511 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.66 -60.05 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -146.51 143.52 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -94.83 93.02 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -160.06 -64.02 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.6 m -97.08 118.85 34.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.789 0.328 . . . . 0.0 110.896 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.54 -63.07 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -44.15 135.42 4.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -86.78 -58.64 2.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.6 p -102.67 131.76 49.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -166.69 179.07 5.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.621 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -90.81 88.9 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.28 133.64 55.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' SG ' HG12 ' A' ' 52' ' ' VAL . 30.9 t -48.44 142.04 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -91.45 13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.763 ' NE ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmm180 -128.93 -41.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -116.14 -14.36 11.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 28' ' ' CYS . 71.8 mm-40 59.48 48.68 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -90.79 177.78 6.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.1 t -91.34 99.99 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.621 HD12 ' C ' ' A' ' 26' ' ' ARG . 8.2 mt -81.84 33.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.49 -93.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -46.44 -39.27 10.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD21 ' NE ' ' A' ' 54' ' ' ARG . 16.9 mt -59.49 149.15 30.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -98.6 125.21 43.52 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 110.815 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HB3' ' HG3' ' A' ' 26' ' ' ARG . 53.4 Cg_endo -69.79 -50.73 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.632 2.221 . . . . 0.0 112.367 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -36.83 -58.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.6 p -74.81 -30.83 61.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.469 HD21 HD22 ' A' ' 38' ' ' LEU . 81.9 m-20 -82.26 38.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.8 m -112.66 109.5 19.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 49' ' ' ASN . 8.4 t -57.96 110.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -60.98 -17.33 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.4 -62.7 4.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.5 p -106.7 1.71 25.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' CYS . 13.1 m120 57.78 42.09 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -105.96 -177.19 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' A' ' 26' ' ' ARG . 49.1 tp -113.62 118.96 35.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG12 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -137.83 172.62 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.1 p -93.87 179.58 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' NE ' HD21 ' A' ' 38' ' ' LEU . 71.4 mtm180 -83.06 27.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -128.23 -28.69 2.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.3 m -99.05 21.43 11.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.641 ' NH2' ' CD1' ' A' ' 65' ' ' TRP . 11.7 ptm180 -117.78 167.61 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.904 HD13 ' HB3' ' A' ' 71' ' ' SER . 3.8 mp -133.38 122.95 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.05 124.39 24.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -96.78 157.5 15.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -43.53 -43.76 5.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -87.12 -174.97 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.13 44.52 2.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 78.4 p -134.35 166.18 23.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.641 ' CD1' ' NH2' ' A' ' 57' ' ' ARG . 57.6 p-90 -156.61 160.89 39.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.0 mtm180 -142.87 162.17 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.6 p -71.5 165.48 23.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.819 ' HD2' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -56.95 -39.18 74.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.763 HG23 ' NE ' ' A' ' 30' ' ' ARG . 61.3 t -65.43 -35.68 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.27 -63.87 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.904 ' HB3' HD13 ' A' ' 58' ' ' ILE . 6.5 t -58.99 -42.11 89.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 73' ' ' PRO . . . -74.67 -148.43 1.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 72' ' ' GLY . 53.6 Cg_endo -69.81 111.64 2.87 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.297 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 m -68.45 123.19 20.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.1 t -88.67 -57.08 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.513 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -165.15 161.26 19.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.393 . . . . 0.0 110.829 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -172.6 175.01 3.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.23 132.12 2.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -162.21 144.46 11.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.369 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -162.7 172.14 15.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.83 79.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.05 82.01 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.44 103.25 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -136.76 108.83 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.6 mt -101.15 142.81 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.44 135.64 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -175.78 140.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 14' ' ' LYS . 7.3 tmtt? -96.36 115.4 27.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 170.47 58.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.61 -44.26 13.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.345 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -117.24 -59.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -137.8 132.89 33.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.71 82.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.7 m -91.47 173.86 7.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -59.46 -46.2 89.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -74.74 115.52 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -120.47 78.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 p -134.15 120.33 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -143.55 153.02 42.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -127.13 98.23 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -129.76 152.75 48.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.445 ' HB3' ' N ' ' A' ' 32' ' ' GLN . 13.0 t -57.39 165.59 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.5 -9.24 15.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? -111.42 -36.5 5.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' SG ' ' CG ' ' A' ' 33' ' ' GLU . 22.7 p -118.29 -8.57 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER 50.55 36.65 14.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 27' ' ' THR . 5.4 mm-40 -77.71 165.13 24.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.1 t -77.77 102.9 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.891 HD13 HD11 ' A' ' 51' ' ' LEU . 61.7 mt -80.93 36.83 0.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.91 -68.03 1.86 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -60.38 -46.38 90.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD12 HD23 ' A' ' 35' ' ' LEU . 79.0 mt -59.4 -178.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -141.53 127.2 10.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -6.66 19.15 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 42' ' ' THR . 5.9 tptm -51.92 -69.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.454 ' N ' ' HG3' ' A' ' 41' ' ' LYS . 4.7 t -97.96 -8.87 27.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.455 ' CG ' ' O ' ' A' ' 39' ' ' SER . 11.4 m-20 -79.2 43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.411 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 97.1 m -118.74 120.41 37.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.564 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 27.1 t -60.4 114.27 2.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.2 mtt-85 -59.7 -18.69 44.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.58 -66.83 1.82 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 49' ' ' ASN . 7.6 p -104.3 25.45 10.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 48' ' ' CYS . 82.2 m-20 33.46 40.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.48 170.85 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.891 HD11 HD13 ' A' ' 35' ' ' LEU . 17.7 tp -101.44 116.82 33.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 m -137.51 155.11 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.8 p -76.55 178.31 6.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 54' ' ' ARG . 11.4 mtp-105 -80.02 13.16 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.11 -28.87 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 93.6 m -96.07 22.06 8.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.543 ' C ' HD12 ' A' ' 58' ' ' ILE . 11.0 ptm180 -121.93 166.2 14.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.5 mp -134.68 120.1 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.63 117.95 12.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' OE2' ' NH2' ' A' ' 66' ' ' ARG . 28.3 mt-10 -88.48 155.13 19.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -42.7 -46.81 5.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -79.83 -178.96 6.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.3 46.04 2.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.0 p -139.48 167.66 21.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.339 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 53.0 p-90 -154.17 163.95 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' NH2' ' OE2' ' A' ' 60' ' ' GLU . 52.9 mtm180 -145.51 167.89 21.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 p -74.82 168.89 19.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.671 ' HA ' HD11 ' A' ' 58' ' ' ILE . 4.3 mmmm -54.65 -47.09 73.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.3 t -60.48 -41.49 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 66' ' ' ARG . 3.1 m -69.17 -69.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.449 ' CB ' HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -55.1 -42.5 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -43.3 163.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.78 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.4 t -86.92 146.09 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 60.0 p -75.02 96.35 3.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.522 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.03 170.1 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -173.14 173.59 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.76 171.68 44.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -168.73 171.27 8.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.8 p -172.78 170.31 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.49 -177.96 30.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 tp -173.61 144.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -167.08 153.15 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -160.35 144.74 14.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.2 mt -116.37 137.9 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -145.15 149.94 35.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -159.35 -179.28 7.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -40.02 -64.22 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.91 75.35 0.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -106.17 120.91 43.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -38.74 -53.62 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -121.41 162.22 20.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.83 109.59 0.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -88.51 106.92 18.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -109.34 -43.52 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 9.4 p80 -79.69 44.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -49.57 -53.4 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.5 m -44.84 119.24 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -148.68 143.44 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HD2' ' CB ' ' A' ' 40' ' ' PRO . 12.8 mmt85 -108.78 91.79 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.0 OUTLIER -128.19 153.5 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 32' ' ' GLN . 32.3 t -57.48 150.37 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . -96.81 10.4 39.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.863 ' NE ' HG23 ' A' ' 69' ' ' VAL . 3.7 mmm180 -128.73 -39.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -116.71 -11.19 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 28' ' ' CYS . 20.6 mm100 55.25 47.99 20.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 27' ' ' THR . 15.1 mm-40 -90.13 169.23 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.2 t -83.86 97.29 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.601 HD13 HD11 ' A' ' 51' ' ' LEU . 12.0 mt -83.82 31.21 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -45.11 -87.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -45.68 -42.12 11.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 57.0 mt -57.9 163.1 2.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -105.24 117.36 58.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CB ' ' HD2' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.71 -23.78 30.64 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.72 2.28 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -64.31 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -68.11 -20.38 64.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -89.86 49.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.553 ' C ' ' CZ2' ' A' ' 65' ' ' TRP . 85.1 m -116.55 118.57 32.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.1 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.561 ' HA ' ' CH2' ' A' ' 65' ' ' TRP . 5.5 t -63.67 112.58 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -58.59 -21.64 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.38 -64.92 3.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 9.1 p -110.04 17.27 21.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 45' ' ' CYS . 16.0 m120 44.09 39.94 3.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -99.72 -174.77 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.601 HD11 HD13 ' A' ' 35' ' ' LEU . 32.6 tp -113.03 123.88 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.3 m -143.36 167.59 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.29 178.91 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 1.1 ptm180 -84.15 21.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -123.0 -20.42 5.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 92.9 m -103.61 0.76 31.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.555 ' HB2' ' CE3' ' A' ' 65' ' ' TRP . 9.5 ptm180 -94.74 167.23 11.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 68' ' ' LYS . 4.3 mp -134.59 125.03 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -76.69 119.86 21.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -98.28 160.91 13.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 62' ' ' ASN . 37.4 t -70.94 -56.34 6.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 61' ' ' SER . 4.3 p30 -34.71 -39.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 129.22 11.2 2.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.8 p -118.63 -173.69 2.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.782 0.325 . . . . 0.0 111.125 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CH2' ' HA ' ' A' ' 45' ' ' CYS . 47.6 p-90 -151.73 156.64 40.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.1 mtt85 -148.09 164.26 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 p -73.25 154.12 40.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HA ' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -42.85 -45.17 4.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.863 HG23 ' NE ' ' A' ' 30' ' ' ARG . 57.5 t -62.87 -36.41 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.0 m -78.98 -62.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' HB3' HD13 ' A' ' 58' ' ' ILE . 2.5 p -45.36 -38.05 5.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.48 -164.46 31.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.6 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.353 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -45.38 161.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 m -120.13 149.74 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.461 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_