data_2csy_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 2csy _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 ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.616 0.722 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.16 43.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -110.57 -36.46 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -132.7 164.38 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.6 t -61.12 161.01 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -112.55 -28.58 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.82 -35.17 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.0 p -118.29 -14.19 9.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 64.7 35.06 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.69 174.9 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.69 127.94 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.9 m-85 -51.49 111.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -109.99 102.13 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.4 m-20 61.09 52.55 2.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.78 142.68 48.49 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.76 139.06 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 8.9 p -88.01 133.81 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -109.11 178.13 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 p -81.36 12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 56.09 46.59 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.9 m170 -128.14 160.0 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CD1' HD23 ' A' ' 69' ' ' LEU . 9.8 m-85 -123.05 147.53 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.79 141.16 18.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.6 m -50.48 128.64 20.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -39.69 -31.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.55 -43.24 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' CYS . 51.2 m -63.51 -43.62 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.94 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.48 -51.39 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.91 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 31.0 t60 -58.5 -45.24 89.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -51.72 -41.9 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -54.08 -57.74 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -55.77 13.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.452 HG23 ' CE1' ' A' ' 45' ' ' HIS . 10.2 t -120.4 121.65 29.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.95 13.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.97 179.78 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.427 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 t -75.46 169.13 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -98.28 -15.63 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 59.4 mt -109.56 -55.09 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.0 p -93.52 -8.54 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 29.7 m-20 45.41 50.04 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.58 157.98 32.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.9 p -63.28 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 35.99 63.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.59 37.2 93.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.2 mt -111.91 136.81 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -156.71 128.87 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.461 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.6 m-80 -112.22 145.83 33.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.7 36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.079 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -52.75 -38.06 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.22 -39.18 85.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 36' ' ' TYR . 12.9 tp -60.4 -46.59 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.412 ' HE2' ' CG ' ' A' ' 28' ' ' PRO . 38.9 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.04 58.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -106.59 -38.17 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -129.26 164.72 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -62.05 162.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.91 -29.98 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 85.3 mt -66.72 -34.38 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.5 p -118.89 -14.47 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 64.86 29.32 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -118.19 173.53 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 136.18 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.2 m-85 -59.92 113.83 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.45 ' OE1' ' C ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -111.79 99.49 8.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 62.94 52.64 1.68 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.7 142.38 48.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.736 2.29 . . . . 0.0 112.369 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 m -121.33 141.84 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 7.2 p -88.06 130.91 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -104.75 178.16 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -63.27 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.2 p -80.21 12.35 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 57.06 47.36 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.6 m170 -128.34 161.82 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.9 m-85 -123.27 145.56 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.46 142.95 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 m -52.1 129.88 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -39.88 -34.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -79.42 -45.77 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -60.51 -44.9 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -50.51 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.38 -60.2 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -47.61 -52.72 16.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t60 -62.24 -44.81 95.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -50.47 -40.95 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -53.38 -56.79 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.419 HG23 ' NE2' ' A' ' 45' ' ' HIS . 11.3 t -109.37 117.53 52.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.57 2.7 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -113.24 177.13 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.7 t -69.67 169.17 13.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 7.9 t80 -100.36 -18.06 16.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 50.9 mt -104.77 -58.55 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.01 -5.45 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 9.2 m-20 45.58 50.67 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -96.17 158.68 33.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -72.09 -41.77 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.77 35.08 89.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.63 91.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 63' ' ' PHE . 79.7 mt -113.71 137.24 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 93.7 m-85 -156.08 124.31 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 7.7 m120 -105.16 145.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 127.61 14.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 43.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -68.43 -48.0 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' A' ' 36' ' ' TYR . 8.7 tp -51.91 -45.35 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.429 ' CE ' HD21 ' A' ' 69' ' ' LEU . 38.1 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.63 0.729 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 157.06 61.78 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -103.16 -38.8 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -132.3 163.77 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.4 t -60.44 162.23 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -112.13 -30.22 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 87.1 mt -65.98 -37.46 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -116.5 -14.4 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 63.87 35.09 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.74 171.34 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.2 129.13 27.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.0 m-85 -51.71 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -108.03 111.08 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.7 m-20 52.49 52.18 10.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.76 148.95 66.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 m -131.01 142.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.19 135.0 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 p -108.24 178.05 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -64.14 -27.45 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.72 11.58 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 58.75 44.96 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.3 m170 -125.93 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 5.8 m-85 -124.7 145.08 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.5 143.85 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 m -53.16 129.5 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.59 -35.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -78.99 -46.09 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.9 m -59.7 -43.72 93.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.54 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . . . -59.99 -52.67 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.78 -56.76 11.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -50.45 -51.96 42.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 27.5 t60 -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -59.26 -38.47 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -57.21 -56.76 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.26 -57.16 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.473 HG23 ' CE1' ' A' ' 45' ' ' HIS . 1.9 t -116.93 118.24 36.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.15 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.74 2.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -110.54 176.78 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -71.04 170.49 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 t80 -99.82 -21.56 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 58.9 mt -102.12 -58.15 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -90.87 -9.76 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.9 m-20 48.22 49.29 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.92 156.53 35.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -67.37 -41.19 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.54 33.92 46.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.2 40.66 99.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.47 129.9 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 85.5 m-85 -151.02 114.77 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -99.79 146.07 31.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.65 5.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.38 41.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -49.91 -46.36 51.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 36' ' ' TYR . 12.5 tp -46.58 -50.91 16.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.9 mmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.591 0.71 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.0 58.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -105.3 -35.68 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.3 ptt-85 -131.55 165.7 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.6 t -64.25 161.48 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -112.4 -29.41 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.55 -31.76 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 17.7 p -122.94 -13.59 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 26.6 mmt180 62.76 36.77 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.5 mm-40 -124.64 169.94 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 125.56 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -49.76 109.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.71 108.23 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 55.19 52.67 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.4 Cg_endo -69.79 148.36 64.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 m -127.43 140.21 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.05 132.52 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.7 p -106.44 178.3 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 p -82.65 13.2 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.78 45.63 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.7 m170 -126.84 160.74 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.575 ' CD1' HD22 ' A' ' 69' ' ' LEU . 8.6 m-85 -122.65 147.67 46.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.92 142.75 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 m -53.83 129.39 33.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -40.76 -31.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -81.74 -46.76 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 m -58.86 -48.07 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.11 -49.33 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -68.06 -60.99 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.28 -53.28 22.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 29.2 t60 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -50.07 -48.26 53.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -47.58 -51.24 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -53.87 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.423 HG23 ' NE2' ' A' ' 45' ' ' HIS . 9.7 t -120.14 117.56 31.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.712 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.89 3.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -116.62 173.97 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 9.4 t -63.11 170.4 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.581 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 45.2 t80 -101.8 -23.9 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.5 mt -98.63 -56.67 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.9 p -92.24 -10.93 36.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 48.99 49.78 18.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.29 157.65 33.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 88.48 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.5 p -67.45 -37.91 83.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.13 32.7 65.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.33 35.58 91.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.531 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.92 128.7 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -152.64 122.98 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -108.89 145.98 32.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 114.25 3.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.96 39.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -49.55 -39.59 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' LEU . 6.9 mp0 -58.75 -57.99 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.9 tp -37.0 -50.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.473 ' CE ' HD23 ' A' ' 69' ' ' LEU . 39.1 mmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.646 0.736 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.56 59.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -103.74 -39.23 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -132.0 163.43 28.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.2 t -61.66 162.11 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.92 -29.6 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 58.1 mt -66.38 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.4 p -119.38 -13.43 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 63.14 33.37 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -120.74 174.8 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.46 125.95 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.9 m-85 -48.19 112.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.56 106.6 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 m-20 56.06 52.46 7.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.77 143.24 50.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 m -122.32 142.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.58 131.7 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -105.34 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -63.37 -27.96 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.22 10.93 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 58.93 42.82 18.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.3 m170 -123.74 163.56 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.1 m-85 -125.5 147.02 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -155.46 142.31 19.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 m -50.5 131.7 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -41.34 -35.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 t -79.05 -46.99 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -58.43 -48.44 80.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.85 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -59.82 -56.46 21.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.95 -57.1 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 12.0 t60 -55.46 -45.32 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -50.16 -44.21 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -53.03 -55.87 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.83 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -109.68 116.68 53.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.92 3.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -116.14 172.23 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.8 t -65.49 170.18 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 54.7 t80 -101.42 -22.65 14.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.1 mt -100.43 -55.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.03 -11.48 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 m-20 49.41 48.81 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -103.42 156.83 34.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.2 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -67.91 -41.25 82.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.2 35.03 54.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.36 41.14 99.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.97 128.54 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -151.77 124.79 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -109.33 145.95 32.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.86 41.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -46.18 -42.76 14.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' LEU . 69.5 mm-40 -56.2 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.519 ' CD2' ' CD1' ' A' ' 36' ' ' TYR . 55.4 tp -35.1 -51.1 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.468 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 32.4 mmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.66 0.743 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.69 68.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.339 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -101.27 -38.27 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -131.63 163.31 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.5 t -61.34 161.47 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.52 -29.22 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 65.0 mt -66.97 -36.44 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.3 p -117.07 -14.22 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 64.33 32.51 12.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -119.87 175.44 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 126.38 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.36 110.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -109.16 102.14 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 4.7 m-20 61.34 52.54 2.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 20.4 m -125.54 141.75 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.78 134.49 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -109.71 178.2 4.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -62.9 -27.71 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HB3' ' NE2' ' A' ' 57' ' ' GLN . 6.0 p -81.98 12.83 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 56.59 44.47 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 49.8 m170 -124.24 161.51 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CD1' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -124.79 143.55 50.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.51 143.61 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.0 m -51.62 129.7 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -39.13 -34.77 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.2 t -79.55 -45.27 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -60.51 -45.42 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.14 -52.26 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.07 -57.79 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -48.45 -53.62 17.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 15.0 t60 -61.47 -40.1 93.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.3 -40.61 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -54.28 -54.85 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.416 HG23 ' NE2' ' A' ' 45' ' ' HIS . 6.3 t -112.4 117.24 47.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.555 0.693 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.23 2.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -111.52 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -69.73 169.97 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.5 t80 -100.75 -18.37 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.5 mt -104.77 -58.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.07 -6.56 44.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 5.2 m-20 48.67 49.07 19.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -98.3 153.2 38.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 86.32 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 p -66.71 -35.8 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.7 37.7 89.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.51 40.38 99.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.5 mt -115.69 128.05 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 63.8 m-85 -152.42 120.82 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -105.92 146.03 32.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.47 5.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.88 40.06 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -45.07 -46.88 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 10.1 tp10 -53.02 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD22 ' CD1' ' A' ' 36' ' ' TYR . 17.4 tp -34.35 -49.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 37.5 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.91 32.78 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -109.13 -37.04 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -135.73 163.52 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.4 t -60.48 162.23 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.05 -30.48 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 72.2 mt -66.04 -35.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.6 p -117.56 -15.77 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 65.02 34.22 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.24 172.73 8.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.3 126.9 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 7.9 m-85 -49.86 112.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.28 103.95 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 58.09 52.97 5.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.74 146.18 59.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.74 140.52 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -88.44 134.85 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 p -110.88 177.62 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -61.33 -28.4 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -80.87 12.84 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? 55.42 44.94 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -125.08 161.04 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 12.1 m-85 -123.25 146.92 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.65 142.91 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.05 128.93 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -38.66 -34.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 t -79.46 -46.29 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -59.74 -47.8 84.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.27 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.64 -58.45 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.28 -50.93 48.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t60 -60.23 -41.39 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -54.34 -41.4 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -54.38 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -57.46 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.6 t -117.64 117.58 35.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.187 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -112.35 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -67.19 170.36 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.4 t80 -100.74 -21.89 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.9 mt -100.63 -58.78 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.3 p -91.41 -9.81 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 23.8 m-20 49.59 49.6 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -101.87 156.65 34.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 89.42 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -69.38 -33.57 73.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.54 92.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.55 39.13 96.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 84.2 mt -113.39 135.47 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 62' ' ' ILE . 76.6 m-85 -157.16 114.71 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -97.27 145.88 30.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.19 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.43 42.18 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -51.52 -46.59 63.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.14 -56.22 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 36' ' ' TYR . 23.9 tp -39.11 -54.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.45 ' CE ' HD22 ' A' ' 69' ' ' LEU . 35.2 mmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 15' ' ' PRO . 84.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.61 0.719 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.419 ' N ' HG22 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.8 162.15 43.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -105.95 -37.14 6.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -135.72 161.51 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -57.98 161.82 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.84 -30.42 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 53' ' ' TYR . 69.1 mt -65.49 -36.98 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 14.1 p -116.76 -14.56 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 64.19 35.13 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -122.34 175.22 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.22 126.24 26.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.9 m-85 -49.39 111.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -109.44 105.65 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 57.05 52.8 6.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.82 141.4 44.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.52 141.91 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.44 134.88 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 p -109.46 178.05 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -63.16 -27.74 69.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -82.26 14.84 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 54.67 45.58 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.2 m170 -125.6 162.45 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -125.51 146.67 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.64 142.11 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 m -51.1 129.32 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -38.88 -33.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.7 t -81.22 -44.63 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -61.52 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . . . -59.91 -48.34 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.67 -57.87 5.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.22 -49.1 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.6 t60 -67.33 -33.88 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.26 -45.38 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -52.61 -57.0 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -54.17 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -123.52 118.64 27.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -106.94 175.55 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.2 t -71.18 169.64 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 60.7 t80 -98.7 -19.59 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.1 mt -105.42 -58.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.38 -4.0 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.481 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 p-10 42.53 49.13 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.83 158.43 34.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 85.12 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.2 p -67.72 -40.12 84.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.27 37.95 87.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 41.33 99.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.43 129.59 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 69.2 m-85 -153.65 122.06 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.92 145.87 31.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.95 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.77 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -52.35 -40.13 61.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.93 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.3 tp -49.11 -50.16 38.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.403 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 39.2 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 158.9 55.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.61 -38.2 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.4 160.95 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.0 t -58.24 161.57 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.93 -29.08 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 53.7 mt -66.82 -36.22 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.5 p -117.58 -14.92 10.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.98 35.81 7.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -123.2 174.38 7.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.05 128.53 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.1 m-85 -50.46 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -106.79 107.28 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.5 m-20 55.9 52.88 7.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.2 Cg_endo -69.78 141.69 45.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.266 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 30.8 m -121.14 141.47 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.71 132.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.6 p -105.79 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -63.54 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 p -80.67 13.85 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 56.73 44.74 23.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -124.47 161.74 25.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 69' ' ' LEU . 9.2 m-85 -124.29 145.69 49.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.77 144.95 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.2 m -52.71 130.43 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -40.96 -33.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -80.57 -45.76 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -60.03 -47.44 85.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.03 -47.77 80.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.83 -60.84 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.46 -55.67 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.1 t60 -58.58 -40.98 84.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.51 -42.93 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -53.71 -54.44 37.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.74 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.419 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.02 117.79 43.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.386 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -115.77 175.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.3 t -66.47 171.62 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 36.1 t80 -101.78 -24.14 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 63.0 mt -99.79 -56.9 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -92.15 -9.36 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 34.9 t70 50.16 46.06 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.39 154.88 37.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 93.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.9 p -74.6 -23.36 58.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.86 33.94 64.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.09 40.28 95.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.2 mt -112.84 129.54 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 77.4 m-85 -150.77 118.62 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -106.08 145.85 31.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.19 3.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.5 39.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -41.29 23.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.0 -53.72 55.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 36' ' ' TYR . 15.5 tp -45.45 -46.19 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.652 0.739 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 162.76 40.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.64 -35.69 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -135.29 162.69 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.2 t -60.44 162.07 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -112.87 -29.26 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 42.2 mt -67.39 -33.49 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.3 p -120.45 -11.64 9.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 61.67 32.88 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.62 172.64 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 132.28 42.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -54.69 110.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.73 107.45 17.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 56.66 51.81 5.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 54.1 Cg_endo -69.69 144.82 55.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.04 141.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.1 p -88.23 130.65 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 p -104.68 178.42 4.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -64.05 -27.22 68.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 p -81.77 13.06 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 56.81 45.08 22.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.3 m170 -125.82 161.59 27.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 7.5 m-85 -124.63 144.73 50.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -152.99 143.77 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.0 m -52.43 129.24 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.22 -32.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.3 m -81.37 -46.92 13.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.9 m -59.23 -44.54 92.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.27 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.78 -55.39 17.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -52.52 -52.4 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.3 t60 -62.62 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.46 -41.08 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -55.89 -62.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.93 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.424 HG22 ' NE2' ' A' ' 45' ' ' HIS . 3.7 t -116.2 117.83 38.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -114.2 176.07 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -67.23 170.37 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.2 t80 -101.23 -21.44 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.675 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.5 mt -101.64 -56.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -91.38 -11.49 37.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 50.78 47.63 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -102.17 156.63 35.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.685 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 90.97 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -68.17 -40.09 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.88 35.97 61.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.85 39.44 97.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.5 mt -116.16 126.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -148.06 115.68 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -98.21 145.81 30.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.02 10.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.59 40.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -52.67 -42.49 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.97 -49.77 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 36' ' ' TYR . 6.9 tp -45.81 -46.61 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 32.1 mmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.618 0.723 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 158.35 57.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -105.26 -38.06 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -127.97 166.48 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -65.98 162.02 20.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.73 -30.72 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 81.0 mt -65.1 -36.54 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.9 p -116.96 -14.7 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 64.7 32.68 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -120.99 173.7 7.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 126.35 25.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.1 m-85 -50.01 112.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -110.18 106.14 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.6 m-20 56.59 52.73 6.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.73 143.89 52.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.751 2.301 . . . . 0.0 112.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 m -122.05 141.49 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 9.2 p -88.5 128.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -102.88 177.74 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.46 -27.76 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.1 p -80.55 11.22 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 58.06 43.48 20.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.1 m170 -124.78 160.7 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.7 m-85 -121.66 146.51 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.32 142.78 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 m -52.69 128.8 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -39.03 -34.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -79.37 -46.12 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -59.86 -45.86 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . . . -58.72 -43.89 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.52 -52.46 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.6 t60 -60.38 -47.99 83.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.08 -40.73 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.83 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.419 HG21 ' NE2' ' A' ' 45' ' ' HIS . 9.7 t -114.06 116.93 44.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.61 2.67 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.62 2.213 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -114.68 174.73 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -66.2 170.1 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.1 t80 -100.69 -22.67 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.3 mt -101.18 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.21 -10.34 42.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 t70 48.35 49.03 18.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -104.43 157.07 34.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.26 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -70.59 -31.11 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.31 38.8 97.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.72 39.0 96.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.41 130.65 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 89.1 m-85 -152.31 110.13 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 2.3 m120 -95.78 145.88 30.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 123.93 10.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.33 40.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.046 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.9 -40.07 55.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.98 -57.58 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 36' ' ' TYR . 12.1 tp -39.2 -45.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.69 52.49 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -107.62 -37.67 6.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -133.6 162.9 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -58.68 162.11 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.99 -30.36 7.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.502 HG12 ' CG ' ' A' ' 53' ' ' TYR . 53.1 mt -65.93 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.499 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -116.2 -14.21 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 63.11 36.5 12.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -124.09 170.95 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 126.09 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.06 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -106.64 107.5 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 m-20 56.43 52.93 7.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.8 148.35 64.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -129.99 139.96 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' ASN . 8.5 p -87.79 128.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -101.84 177.91 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.16 -26.38 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -81.58 10.04 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 59.99 45.55 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 60.3 m170 -126.96 162.06 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 5.9 m-85 -123.75 143.08 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.99 141.89 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.9 m -51.59 129.03 24.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -39.07 -35.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -78.75 -48.6 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.3 m -56.83 -45.92 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -47.62 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.94 -59.62 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -50.48 -49.87 54.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 38.0 t60 -62.35 -38.11 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -39.81 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -56.14 -61.66 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.494 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -126.07 117.53 23.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -106.68 175.2 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -69.33 168.73 13.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 22.4 t80 -97.3 -15.31 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 67.1 mt -111.54 -56.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.87 -2.33 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 41.88 51.69 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -104.25 157.62 33.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.15 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.637 2.224 . . . . 0.0 112.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -68.27 -21.84 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.52 38.05 85.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.26 42.84 93.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.94 132.28 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 56.7 m-85 -150.93 118.72 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.1 m120 -108.63 146.35 33.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 116.7 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.91 36.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -51.38 -51.61 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.28 -39.58 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 36' ' ' TYR . 2.1 tp -70.8 -40.76 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 158.43 57.0 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 9.2 t80 -107.01 -35.47 6.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -134.31 165.32 25.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.9 t -61.28 162.26 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -112.89 -30.84 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.9 mt -66.68 -32.8 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -120.51 -15.46 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 64.3 36.31 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -123.61 173.26 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.91 123.59 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -46.19 110.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 25' ' ' PHE . 2.8 mm100 -107.81 106.45 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 54.81 53.74 9.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.2 Cg_endo -69.79 143.29 50.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -122.3 140.99 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.8 p -88.37 131.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -106.76 177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.22 -28.57 69.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.9 p -79.05 9.27 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 59.23 42.84 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.1 m170 -124.15 162.87 22.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 7.9 m-85 -123.8 147.16 47.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -155.52 142.13 18.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 m -51.58 130.93 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -41.43 -32.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -81.39 -45.91 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.4 m -59.78 -48.13 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.51 -47.92 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.08 -59.49 3.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.7 -52.0 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.5 t60 -61.04 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.41 -41.66 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -54.65 -57.98 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -57.93 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.423 HG23 ' NE2' ' A' ' 45' ' ' HIS . 1.8 t -115.7 117.33 40.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.575 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 3.14 2.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -112.35 174.28 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.413 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.1 t -67.99 170.21 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.4 t80 -101.44 -21.43 14.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.646 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.8 mt -100.8 -56.43 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.19 -11.56 35.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 11.4 t0 50.52 49.16 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -103.25 156.51 35.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 88.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -68.18 -40.22 82.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.67 34.97 59.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.46 96.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -111.98 135.15 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.402 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 83.1 m-85 -157.19 126.08 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -111.36 145.76 33.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.97 3.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.347 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.42 40.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.045 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -50.49 -39.69 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.12 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 36' ' ' TYR . 13.4 tp -41.81 -45.93 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.465 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 36.8 mmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 15' ' ' PRO . 98.4 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.629 0.728 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' N ' HG21 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.8 157.67 59.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -104.2 -38.46 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -132.38 165.52 24.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 43.2 t -63.56 161.64 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.1 -30.26 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 66.7 mt -66.2 -30.97 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.8 p -122.44 -17.12 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.51 34.44 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.76 172.85 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.48 123.44 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.7 m-85 -44.72 112.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -108.55 106.79 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 53.19 54.13 12.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 54.1 Cg_endo -69.78 146.61 60.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 m -127.89 141.68 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.86 130.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -103.22 178.42 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 2.0 mptt -64.31 -26.83 68.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.19 11.97 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 58.26 47.29 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.9 m170 -129.5 161.63 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 13.6 m-85 -122.49 145.65 48.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.97 140.49 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.3 m -50.37 128.74 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.26 -29.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' CYS . 14.9 m -84.85 -49.53 8.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 57.8 m -58.13 -35.26 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.11 -55.65 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.94 -47.88 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 4.7 pt-20 -54.43 -45.79 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.473 ' N ' ' CG ' ' A' ' 44' ' ' GLU . 3.6 t60 -68.88 -44.56 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.2 -42.44 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.49 -59.02 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.76 -60.08 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.412 HG22 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.03 116.28 44.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.95 2.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -108.03 175.17 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.7 t -69.93 171.0 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.46 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -100.13 -22.86 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.673 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mt -101.38 -58.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.45 -6.08 47.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.479 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.4 m-20 44.71 49.04 8.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.07 156.2 36.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 p -61.68 -41.99 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.88 57.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.31 37.92 94.46 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.417 HG22 ' CE ' ' A' ' 32' ' ' LYS . 70.8 mt -114.77 124.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -145.38 127.22 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 5.3 m120 -108.01 146.84 34.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.43 3.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 40.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -52.64 -39.13 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.98 -57.64 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 36' ' ' TYR . 12.6 tp -38.77 -45.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.47 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 33.0 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.615 0.721 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.69 59.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.24 -38.18 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -127.17 168.01 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 36.2 t -67.74 161.61 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.48 -32.19 6.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 71.2 mt -64.1 -30.26 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 23' ' ' GLN . 17.2 p -123.6 -14.82 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 65.12 33.59 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -121.08 176.03 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.28 124.7 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -47.25 112.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -112.34 106.26 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 58.55 51.09 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.79 146.42 59.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.18 141.61 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.61 130.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 p -105.32 177.97 4.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -63.09 -28.21 69.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -78.89 6.47 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 62.11 46.75 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.7 m170 -128.87 161.61 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.9 m-85 -121.53 145.2 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.63 140.36 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.7 m -51.23 128.94 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.35 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' CYS . 47.1 t -85.81 -46.68 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 55.7 m -61.81 -30.15 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.16 -53.61 10.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.78 -43.84 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 12.9 pt-20 -57.14 -49.14 76.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 3.9 t60 -67.3 -38.93 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -54.42 -41.95 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -53.26 -56.48 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -116.83 116.81 38.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.548 0.69 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -104.04 178.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.4 t -74.69 168.01 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.507 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 34.9 t80 -100.03 -15.16 18.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.0 mt -107.56 -57.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -95.65 -5.38 42.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 31.9 t70 45.85 50.46 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.63 157.72 33.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 88.51 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.5 p -72.42 -30.1 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.7 38.61 92.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.51 37.04 94.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -110.27 133.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -156.83 113.35 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.98 145.78 30.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.77 3.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 44.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -55.45 -35.64 65.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 69' ' ' LEU . 13.1 pt-20 -64.79 -43.98 91.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.596 ' CD2' ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -54.59 -48.28 72.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.451 ' CE ' HD22 ' A' ' 69' ' ' LEU . 37.8 mmt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.622 0.725 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.66 -37.05 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -126.64 166.79 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.6 t -67.38 162.28 23.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -111.46 -32.33 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 84.9 mt -63.51 -36.22 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.8 p -116.84 -16.13 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 65.97 32.22 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -121.2 172.55 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 127.22 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -51.78 111.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -108.13 109.75 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 52.72 53.15 11.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.8 145.19 56.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 29.6 m -125.42 146.17 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 10.8 p -87.57 129.92 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 p -101.29 179.14 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.4 17.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? 53.85 42.64 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.616 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.2 m170 -121.68 158.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 18.9 m-85 -116.55 145.57 43.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -154.1 140.52 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.7 m -50.16 128.52 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -38.98 -32.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 -47.6 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -58.77 -44.41 90.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.76 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.17 -61.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -46.69 -52.41 13.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 6.4 t60 -62.44 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -48.72 -39.49 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -59.69 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.82 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.429 HG23 ' NE2' ' A' ' 45' ' ' HIS . 4.3 t -116.1 117.5 39.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.64 2.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -116.06 176.99 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 10.8 t -69.7 170.3 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.582 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.6 t80 -102.88 -22.71 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.7 mt -97.04 -57.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.7 p -92.9 -13.56 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 36.0 m-20 54.69 47.52 22.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -109.67 155.87 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.68 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.1 p -56.99 -37.0 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.57 20.26 51.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.85 22.57 72.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.529 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.81 134.23 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -146.98 105.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 2.4 m-80 -94.43 145.8 30.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.09 3.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.19 38.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.4 -48.42 79.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 36' ' ' TYR . 5.8 tp -48.37 -54.35 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.461 ' CE ' HD21 ' A' ' 69' ' ' LEU . 35.0 mmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.408 ' CG2' ' HD2' ' A' ' 15' ' ' PRO . 90.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' CG2' ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.76 159.98 51.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -110.13 -37.59 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.15 164.29 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 38.2 t -61.68 162.44 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.59 -31.91 6.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 82.4 mt -64.75 -34.08 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.9 p -119.43 -14.8 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 64.25 32.17 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.33 172.92 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.52 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.0 m-85 -53.87 109.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -109.1 109.62 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 55.57 51.42 6.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.81 147.36 62.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.82 141.82 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.42 133.33 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -108.31 177.86 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -59.98 -31.05 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 p -78.73 11.38 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 57.25 41.84 26.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.4 m170 -121.16 160.8 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 5.9 m-85 -122.05 143.26 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.45 144.84 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' SER . 32.8 m -54.34 127.36 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.8 tt0 -37.22 -32.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' CYS . 16.6 m -81.57 -48.88 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.5 m -57.17 -41.1 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.71 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.99 -62.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.82 -51.0 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 49' ' ' THR . 17.9 t60 -62.89 -44.9 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -48.47 -43.17 34.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.02 -59.24 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.17 -56.73 9.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 45' ' ' HIS . 3.9 t -117.24 116.63 37.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.4 3.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -111.49 179.13 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -70.73 168.16 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.8 t80 -99.95 -16.12 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.2 mt -106.95 -57.87 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.9 p -95.65 -4.79 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.472 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.2 m-20 45.05 50.48 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -101.89 156.81 34.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.55 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.1 p -66.18 -41.45 90.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.44 31.95 52.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.9 33.06 84.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 47.9 mt -106.25 135.16 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 62.0 m-85 -157.87 105.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -98.98 145.98 30.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.49 3.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.29 38.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -48.26 -55.37 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -43.71 -44.08 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 36' ' ' TYR . 4.4 tp -64.81 -34.56 78.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 158.11 57.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -104.54 -34.97 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.5 162.23 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 51.2 t -61.1 162.0 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.04 -28.87 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 43.4 mt -66.68 -35.34 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.6 p -119.37 -11.92 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 61.17 36.44 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -123.18 172.56 8.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.81 125.73 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.6 m-85 -48.24 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -106.04 108.82 20.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 54.36 52.93 9.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.73 147.13 62.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -128.26 141.21 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.32 131.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -103.89 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -66.2 -23.75 66.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -85.6 13.46 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 58.22 42.76 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.4 m170 -124.37 160.03 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.1 m-85 -123.41 146.34 48.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.12 146.35 23.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.6 m -55.61 128.96 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.74 -32.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -80.92 -46.26 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.5 m -59.49 -46.17 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.46 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.99 -56.89 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -51.69 -53.29 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 16.8 t60 -60.51 -40.63 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.81 -40.05 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.72 -53.53 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.415 HG22 ' NE2' ' A' ' 45' ' ' HIS . 2.9 t -115.51 118.12 39.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.555 0.693 . . . . 0.0 111.153 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -114.31 171.91 7.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 9.7 t -63.33 171.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 48.1 t80 -101.12 -25.05 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.1 mt -98.62 -57.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.6 p -89.97 -11.76 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.4 m-20 51.17 47.37 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -103.96 157.51 33.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.39 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 76.4 p -77.39 -26.48 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.69 23.02 64.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 36.56 57.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -112.07 127.15 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -148.48 122.12 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -105.21 146.47 32.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.62 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -53.18 -41.96 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 35.5 mt-10 -58.71 -61.48 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 36' ' ' TYR . 9.4 tp -34.68 -51.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.405 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 39.4 mmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.63 0.729 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.56 59.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -102.56 -37.37 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.2 ptt85 -131.64 169.85 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t -67.59 162.17 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.95 -30.65 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 48.4 mt -64.42 -38.96 83.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -115.28 -16.75 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mmm-85 66.72 37.36 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -126.35 171.43 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.03 131.26 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.5 m-85 -55.64 110.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.6 103.53 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 60.27 52.46 3.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.79 144.18 53.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.13 141.08 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.93 137.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -112.29 178.27 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.22 -30.08 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.63 10.98 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 58.07 49.54 11.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 50.7 m170 -129.6 160.0 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -122.3 146.72 47.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.88 144.09 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.2 m -53.74 128.24 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -38.85 -32.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -81.41 -46.24 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.4 m -59.89 -46.26 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . . . -57.93 -48.81 78.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.26 -60.36 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.51 -55.35 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 41.0 t60 -60.32 -38.11 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -55.67 -42.53 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -54.85 -57.93 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.85 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 t -130.87 116.89 17.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -115.64 165.09 13.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.9 t -58.69 168.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.526 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 13.1 t80 -100.18 -17.39 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.7 mt -105.93 -58.24 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 57' ' ' GLN . 29.5 p -94.38 -6.11 44.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.475 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-20 48.04 46.2 19.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' HG3' ' SG ' ' A' ' 55' ' ' CYS . 5.8 mt-30 -87.72 156.73 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.4 p -74.26 -42.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.21 34.03 66.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.75 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -110.62 132.75 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 88.7 m-85 -156.8 121.16 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -103.69 145.77 31.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.9 5.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.82 41.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -51.23 -43.05 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.13 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -37.82 -55.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 28' ' ' PRO . 35.9 mmt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.642 0.734 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.67 62.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -103.6 -38.32 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -129.88 160.86 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.5 t -60.13 161.14 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.671 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.59 -29.66 7.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 53' ' ' TYR . 58.5 mt -66.34 -33.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.497 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 11.6 p -119.87 -14.64 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 64.81 29.0 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -117.85 168.8 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.91 130.77 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -52.93 112.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -109.89 105.67 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 55.93 53.11 7.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.82 143.63 51.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -122.66 141.12 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.23 129.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -104.33 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -63.07 -28.24 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -79.84 10.97 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 58.42 43.16 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 51.6 m170 -124.5 162.99 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.66 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.6 m-85 -124.48 146.61 48.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -154.86 143.29 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.57 129.5 29.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -40.2 -33.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -80.57 -47.97 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.8 m -57.75 -47.85 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.15 73.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.29 -56.83 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -50.34 -55.24 16.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -56.54 -38.95 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -60.38 -36.87 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -48.35 -55.79 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.62 -63.27 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -111.21 117.14 50.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.15 3.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -100.13 178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.9 t -73.42 169.36 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CD2' HG12 ' A' ' 20' ' ' ILE . 25.4 t80 -100.97 -18.27 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.671 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.7 mt -104.21 -56.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.56 -7.82 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.5 t70 46.43 51.19 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -98.99 157.33 34.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.39 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.5 p -66.81 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.15 35.96 71.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.52 36.05 92.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.57 134.04 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -154.16 117.85 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.62 146.08 31.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 109.9 2.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.4 40.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -48.89 -50.45 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -48.36 -57.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 36' ' ' TYR . 9.2 tp -41.09 -55.76 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.424 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 35.9 mmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -112.54 83.75 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 p -153.26 137.47 16.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 108.21 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -106.39 161.56 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -143.65 153.54 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 -178.41 37.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.55 -161.3 13.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.434 ' CB ' ' OE1' ' A' ' 10' ' ' GLU . 39.9 m -80.31 -53.57 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -150.46 137.34 19.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -52.01 102.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.44 89.5 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -82.2 40.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.7 mt -95.4 134.57 24.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.16 43.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -110.57 -36.46 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -132.7 164.38 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.6 t -61.12 161.01 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -112.55 -28.58 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 86.4 mt -67.82 -35.17 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.0 p -118.29 -14.19 9.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 64.7 35.06 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.69 174.9 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.69 127.94 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.9 m-85 -51.49 111.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -109.99 102.13 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.4 m-20 61.09 52.55 2.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.78 142.68 48.49 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.76 139.06 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 8.9 p -88.01 133.81 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -109.11 178.13 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 p -81.36 12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 56.09 46.59 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.9 m170 -128.14 160.0 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.569 ' CD1' HD23 ' A' ' 69' ' ' LEU . 9.8 m-85 -123.05 147.53 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.79 141.16 18.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.6 m -50.48 128.64 20.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -39.69 -31.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.55 -43.24 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' CYS . 51.2 m -63.51 -43.62 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.94 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.48 -51.39 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.91 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 31.0 t60 -58.5 -45.24 89.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -51.72 -41.9 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -54.08 -57.74 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -55.77 13.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 HG23 ' CE1' ' A' ' 45' ' ' HIS . 10.2 t -120.4 121.65 29.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.95 13.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.97 179.78 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.427 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.4 t -75.46 169.13 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -98.28 -15.63 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 59.4 mt -109.56 -55.09 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.0 p -93.52 -8.54 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 29.7 m-20 45.41 50.04 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.58 157.98 32.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.9 p -63.28 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 35.99 63.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.59 37.2 93.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.2 mt -111.91 136.81 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -156.71 128.87 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.461 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.6 m-80 -112.22 145.83 33.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -88.7 36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.079 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -52.75 -38.06 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.22 -39.18 85.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 36' ' ' TYR . 12.9 tp -60.4 -46.59 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.412 ' HE2' ' CG ' ' A' ' 28' ' ' PRO . 38.9 mmt -62.66 -43.91 97.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.75 -57.21 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -44.61 -48.32 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.6 mt -50.47 -54.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -48.22 159.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HE2' ' N ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.5 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 t -42.91 -70.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.32 -100.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.72 48.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -120.46 89.69 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 t -121.94 80.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.488 -179.995 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -161.39 159.87 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -148.48 153.17 38.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.82 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -115.79 80.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 p -108.71 165.93 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.73 90.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.87 42.06 0.42 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -51.63 148.39 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.05 131.94 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.9 49.65 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -140.56 118.47 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.62 28.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -95.52 131.34 29.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.04 58.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -106.59 -38.17 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -129.26 164.72 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -62.05 162.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.91 -29.98 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 85.3 mt -66.72 -34.38 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.5 p -118.89 -14.47 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 64.86 29.32 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -118.19 173.53 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.41 136.18 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.2 m-85 -59.92 113.83 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.45 ' OE1' ' C ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -111.79 99.49 8.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 62.94 52.64 1.68 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.7 142.38 48.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.736 2.29 . . . . 0.0 112.369 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 m -121.33 141.84 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 7.2 p -88.06 130.91 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -104.75 178.16 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -63.27 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.2 p -80.21 12.35 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 57.06 47.36 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.6 m170 -128.34 161.82 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.9 m-85 -123.27 145.56 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.46 142.95 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 m -52.1 129.88 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -39.88 -34.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -79.42 -45.77 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -60.51 -44.9 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -50.51 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.38 -60.2 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -47.61 -52.72 16.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t60 -62.24 -44.81 95.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -50.47 -40.95 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -53.38 -56.79 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 HG23 ' NE2' ' A' ' 45' ' ' HIS . 11.3 t -109.37 117.53 52.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.57 2.7 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -113.24 177.13 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.471 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.7 t -69.67 169.17 13.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 7.9 t80 -100.36 -18.06 16.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 50.9 mt -104.77 -58.55 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.01 -5.45 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 9.2 m-20 45.58 50.67 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -96.17 158.68 33.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -72.09 -41.77 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.77 35.08 89.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.63 91.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 63' ' ' PHE . 79.7 mt -113.71 137.24 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 93.7 m-85 -156.08 124.31 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 7.7 m120 -105.16 145.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 127.61 14.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -109.43 43.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -68.43 -48.0 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 ' CD1' ' A' ' 36' ' ' TYR . 8.7 tp -51.91 -45.35 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.429 ' CE ' HD21 ' A' ' 69' ' ' LEU . 38.1 mmt -62.91 -53.26 56.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.2 -44.15 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -59.17 -55.99 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.1 mt -52.1 -52.93 48.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.67 158.41 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.97 89.34 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.8 m -83.8 -54.56 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.97 -155.16 16.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 113.73 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -51.4 163.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.7 m -120.74 153.9 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.527 179.95 . . . . . . . . 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 -0.343 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -83.87 117.03 23.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -50.14 -52.1 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.98 -150.0 20.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -125.37 80.41 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -118.56 159.98 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.36 151.98 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.39 112.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -122.64 126.74 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -116.63 18.34 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 42.12 52.65 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -122.33 81.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' ILE . 28.6 tt0 -68.98 -33.29 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' GLU . 71.9 mt -36.47 134.95 0.59 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 157.06 61.78 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -103.16 -38.8 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -132.3 163.77 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.4 t -60.44 162.23 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -112.13 -30.22 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 87.1 mt -65.98 -37.46 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -116.5 -14.4 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 63.87 35.09 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.74 171.34 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.2 129.13 27.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.0 m-85 -51.71 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -108.03 111.08 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.7 m-20 52.49 52.18 10.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.76 148.95 66.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 m -131.01 142.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.19 135.0 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 p -108.24 178.05 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -64.14 -27.45 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.72 11.58 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 58.75 44.96 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.3 m170 -125.93 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.627 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 5.8 m-85 -124.7 145.08 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.5 143.85 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 m -53.16 129.5 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.59 -35.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -78.99 -46.09 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.9 m -59.7 -43.72 93.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.54 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . . . -59.99 -52.67 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.78 -56.76 11.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -50.45 -51.96 42.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 27.5 t60 -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -59.26 -38.47 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -57.21 -56.76 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.26 -57.16 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.473 HG23 ' CE1' ' A' ' 45' ' ' HIS . 1.9 t -116.93 118.24 36.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.15 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.74 2.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -110.54 176.78 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -71.04 170.49 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 t80 -99.82 -21.56 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 58.9 mt -102.12 -58.15 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -90.87 -9.76 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.9 m-20 48.22 49.29 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.92 156.53 35.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -67.37 -41.19 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.54 33.92 46.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.2 40.66 99.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.47 129.9 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.54 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 85.5 m-85 -151.02 114.77 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -99.79 146.07 31.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.65 5.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.38 41.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -49.91 -46.36 51.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 36' ' ' TYR . 12.5 tp -46.58 -50.91 16.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.462 ' HE3' ' CD1' ' A' ' 73' ' ' LEU . 34.9 mmt -65.39 -44.0 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.66 -47.58 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -63.53 -46.35 86.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD1' ' HE3' ' A' ' 70' ' ' MET . 19.1 mt -58.7 -58.3 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.946 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.38 120.26 31.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -49.32 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.8 t -112.33 109.52 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.4 -84.7 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 90.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.315 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -56.96 -24.76 55.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.1 t -84.9 82.55 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.502 -179.993 . . . . . . . . 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 -0.368 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -142.59 142.67 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -165.8 170.79 13.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.3 153.38 21.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.41 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -170.03 140.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -108.26 168.0 9.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.99 149.41 21.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.435 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.21 129.35 4.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -130.65 102.45 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -96.4 175.99 6.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.26 111.05 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -130.0 94.36 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' ILE . 51.8 mm-40 -86.14 -28.58 23.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 13' ' ' GLU . 74.8 mt -36.92 136.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.0 58.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -105.3 -35.68 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.3 ptt-85 -131.55 165.7 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.6 t -64.25 161.48 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -112.4 -29.41 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -66.55 -31.76 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 17.7 p -122.94 -13.59 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 26.6 mmt180 62.76 36.77 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.5 mm-40 -124.64 169.94 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 125.56 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -49.76 109.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.71 108.23 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 55.19 52.67 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.4 Cg_endo -69.79 148.36 64.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.3 m -127.43 140.21 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.05 132.52 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.7 p -106.44 178.3 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 p -82.65 13.2 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.78 45.63 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.7 m170 -126.84 160.74 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.575 ' CD1' HD22 ' A' ' 69' ' ' LEU . 8.6 m-85 -122.65 147.67 46.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.92 142.75 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 m -53.83 129.39 33.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -40.76 -31.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -81.74 -46.76 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 m -58.86 -48.07 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.11 -49.33 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -68.06 -60.99 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.28 -53.28 22.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 29.2 t60 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -50.07 -48.26 53.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -47.58 -51.24 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -53.87 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.423 HG23 ' NE2' ' A' ' 45' ' ' HIS . 9.7 t -120.14 117.56 31.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.712 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.89 3.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -116.62 173.97 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 9.4 t -63.11 170.4 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.581 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 45.2 t80 -101.8 -23.9 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.5 mt -98.63 -56.67 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.9 p -92.24 -10.93 36.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 48.99 49.78 18.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.29 157.65 33.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 88.48 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.5 p -67.45 -37.91 83.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.13 32.7 65.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.33 35.58 91.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.531 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.92 128.7 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -152.64 122.98 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -108.89 145.98 32.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 114.25 3.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.96 39.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -49.55 -39.59 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' LEU . 6.9 mp0 -58.75 -57.99 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.9 tp -37.0 -50.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.473 ' CE ' HD23 ' A' ' 69' ' ' LEU . 39.1 mmt -60.12 -47.46 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.44 -36.79 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -67.55 -48.68 66.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' CD1' ' HE1' ' A' ' 70' ' ' MET . 17.1 mt -57.57 -50.37 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -167.78 127.1 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -55.89 107.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 m -52.23 115.01 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.38 153.62 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -91.48 -58.33 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -171.64 140.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.514 179.983 . . . . . . . . 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 -0.312 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -62.49 91.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -138.93 160.39 39.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.7 162.85 35.09 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -107.6 108.56 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -104.25 97.68 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.46 -165.97 13.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.46 41.44 96.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -56.78 -56.32 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -107.5 133.6 51.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -95.23 120.38 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -69.34 101.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.22 35.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -96.74 133.12 24.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.56 59.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -103.74 -39.23 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -132.0 163.43 28.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.2 t -61.66 162.11 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.92 -29.6 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 58.1 mt -66.38 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.4 p -119.38 -13.43 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 63.14 33.37 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -120.74 174.8 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.46 125.95 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.9 m-85 -48.19 112.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.56 106.6 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 m-20 56.06 52.46 7.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.77 143.24 50.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 m -122.32 142.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.58 131.7 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -105.34 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -63.37 -27.96 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.22 10.93 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 58.93 42.82 18.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.3 m170 -123.74 163.56 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.596 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.1 m-85 -125.5 147.02 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -155.46 142.31 19.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 m -50.5 131.7 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -41.34 -35.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 t -79.05 -46.99 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -58.43 -48.44 80.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.85 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -59.82 -56.46 21.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.95 -57.1 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 12.0 t60 -55.46 -45.32 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -50.16 -44.21 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -53.03 -55.87 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.83 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -109.68 116.68 53.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.92 3.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -116.14 172.23 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.8 t -65.49 170.18 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 54.7 t80 -101.42 -22.65 14.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.1 mt -100.43 -55.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.03 -11.48 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 m-20 49.41 48.81 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -103.42 156.83 34.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.2 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -67.91 -41.25 82.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.2 35.03 54.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.36 41.14 99.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.97 128.54 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -151.77 124.79 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -109.33 145.95 32.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.86 41.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -46.18 -42.76 14.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' LEU . 69.5 mm-40 -56.2 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.519 ' CD2' ' CD1' ' A' ' 36' ' ' TYR . 55.4 tp -35.1 -51.1 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.468 ' CE ' ' HG ' ' A' ' 69' ' ' LEU . 32.4 mmt -64.9 -49.49 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.26 -41.17 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -62.94 -47.28 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLN . 40.0 mt -56.42 -58.24 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' LEU . 15.8 tt0 -37.74 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -175.23 141.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -72.66 159.33 34.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.18 70.91 1.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 144.7 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -81.23 80.63 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.1 176.62 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.502 -179.939 . . . . . . . . 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 -0.309 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p 38.35 41.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 122.35 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.03 92.44 0.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -114.31 170.16 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -146.5 150.36 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.84 178.16 24.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.72 165.85 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -105.98 135.0 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.48 110.15 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.18 27.67 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.8 tt0 -112.02 41.04 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tp10 -35.05 -34.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' GLU . 73.0 mt -37.44 135.91 0.7 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 153.69 68.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.339 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -101.27 -38.27 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -131.63 163.31 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.5 t -61.34 161.47 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.52 -29.22 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 65.0 mt -66.97 -36.44 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.3 p -117.07 -14.22 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 64.33 32.51 12.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -119.87 175.44 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 126.38 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.542 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.36 110.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -109.16 102.14 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 4.7 m-20 61.34 52.54 2.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 20.4 m -125.54 141.75 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.78 134.49 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -109.71 178.2 4.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -62.9 -27.71 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.423 ' HB3' ' NE2' ' A' ' 57' ' ' GLN . 6.0 p -81.98 12.83 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 56.59 44.47 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 49.8 m170 -124.24 161.51 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' CD1' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -124.79 143.55 50.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.584 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.51 143.61 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.0 m -51.62 129.7 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -39.13 -34.77 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.2 t -79.55 -45.27 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -60.51 -45.42 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.14 -52.26 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.07 -57.79 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -48.45 -53.62 17.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 15.0 t60 -61.47 -40.1 93.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.3 -40.61 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -54.28 -54.85 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.416 HG23 ' NE2' ' A' ' 45' ' ' HIS . 6.3 t -112.4 117.24 47.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.555 0.693 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.23 2.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -111.52 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -69.73 169.97 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.5 t80 -100.75 -18.37 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.5 mt -104.77 -58.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.07 -6.56 44.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 5.2 m-20 48.67 49.07 19.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -98.3 153.2 38.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 86.32 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 p -66.71 -35.8 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.7 37.7 89.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.51 40.38 99.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.5 mt -115.69 128.05 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.452 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 63.8 m-85 -152.42 120.82 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -105.92 146.03 32.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.47 5.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.88 40.06 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -45.07 -46.88 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 10.1 tp10 -53.02 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD22 ' CD1' ' A' ' 36' ' ' TYR . 17.4 tp -34.35 -49.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.439 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 37.5 mmt -64.25 -46.09 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -53.44 -39.11 64.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -63.61 -51.72 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -45.33 -44.59 11.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -125.82 115.46 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -121.06 -2.66 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.5 p -106.1 178.91 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.26 139.59 2.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.23 4.61 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.0 m -92.25 80.44 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.2 m -122.32 40.7 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.486 179.987 . . . . . . . . 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 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -126.99 102.58 7.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -85.67 -59.71 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 145.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -150.79 143.36 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -157.23 142.25 16.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.88 -90.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 137.84 14.53 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -111.72 129.53 56.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 24.9 pm0 -119.33 138.07 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -134.29 46.46 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -158.17 111.99 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' ILE . 11.4 pt-20 -69.45 -33.72 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' GLU . 97.3 mt -34.12 130.35 0.43 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.91 32.78 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -109.13 -37.04 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -135.73 163.52 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.4 t -60.48 162.23 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.05 -30.48 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 72.2 mt -66.04 -35.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.6 p -117.56 -15.77 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 65.02 34.22 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.24 172.73 8.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.3 126.9 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 7.9 m-85 -49.86 112.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.28 103.95 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 58.09 52.97 5.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.74 146.18 59.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -124.74 140.52 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -88.44 134.85 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 p -110.88 177.62 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -61.33 -28.4 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -80.87 12.84 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? 55.42 44.94 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -125.08 161.04 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 12.1 m-85 -123.25 146.92 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.65 142.91 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.05 128.93 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -38.66 -34.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 t -79.46 -46.29 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -59.74 -47.8 84.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.27 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.64 -58.45 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.28 -50.93 48.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.547 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t60 -60.23 -41.39 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -54.34 -41.4 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -54.38 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -57.46 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.6 t -117.64 117.58 35.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.187 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -112.35 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -67.19 170.36 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.4 t80 -100.74 -21.89 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.9 mt -100.63 -58.78 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.3 p -91.41 -9.81 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.416 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 23.8 m-20 49.59 49.6 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -101.87 156.65 34.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 89.42 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -69.38 -33.57 73.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.54 92.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.55 39.13 96.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 84.2 mt -113.39 135.47 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 62' ' ' ILE . 76.6 m-85 -157.16 114.71 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -97.27 145.88 30.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.19 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.43 42.18 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -51.52 -46.59 63.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.14 -56.22 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.517 HD21 ' CE1' ' A' ' 36' ' ' TYR . 23.9 tp -39.11 -54.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.45 ' CE ' HD22 ' A' ' 69' ' ' LEU . 35.2 mmt -63.08 -46.98 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.68 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -76.75 -46.54 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.416 ' CD1' ' HE3' ' A' ' 70' ' ' MET . 59.5 mt -52.76 -57.73 9.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -111.97 160.38 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -136.07 158.97 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.8 t 59.2 41.98 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.1 -176.98 49.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.53 68.29 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -109.16 169.0 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 p -66.0 167.2 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.491 -179.997 . . . . . . . . 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 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -131.43 157.13 44.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -89.54 141.94 28.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.85 103.43 0.33 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -125.78 124.87 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -68.98 135.09 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.18 129.65 9.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.67 100.35 1.96 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -74.07 106.79 5.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -100.72 125.9 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -84.46 102.51 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -138.82 105.09 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 2.7 pp20? -67.77 -41.06 83.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' GLU . 84.3 mt -34.57 137.36 0.36 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' N ' HG22 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.8 162.15 43.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -105.95 -37.14 6.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -135.72 161.51 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -57.98 161.82 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.84 -30.42 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 53' ' ' TYR . 69.1 mt -65.49 -36.98 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 14.1 p -116.76 -14.56 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 64.19 35.13 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -122.34 175.22 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.22 126.24 26.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.9 m-85 -49.39 111.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -109.44 105.65 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 57.05 52.8 6.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.82 141.4 44.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.52 141.91 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.44 134.88 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 p -109.46 178.05 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -63.16 -27.74 69.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -82.26 14.84 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 54.67 45.58 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.2 m170 -125.6 162.45 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -125.51 146.67 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.64 142.11 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 m -51.1 129.32 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -38.88 -33.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.7 t -81.22 -44.63 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -61.52 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.426 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . . . -59.91 -48.34 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.67 -57.87 5.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.22 -49.1 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.6 t60 -67.33 -33.88 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.26 -45.38 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -52.61 -57.0 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -54.17 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -123.52 118.64 27.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -106.94 175.55 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.2 t -71.18 169.64 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 60.7 t80 -98.7 -19.59 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.1 mt -105.42 -58.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.38 -4.0 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.481 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 p-10 42.53 49.13 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.83 158.43 34.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 85.12 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.2 p -67.72 -40.12 84.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.27 37.95 87.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 41.33 99.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -114.43 129.59 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 69.2 m-85 -153.65 122.06 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.92 145.87 31.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.95 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.77 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -52.35 -40.13 61.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.93 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.3 tp -49.11 -50.16 38.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.403 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 39.2 mmt -62.97 -44.75 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.83 -44.56 19.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -63.58 -49.66 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.3 mt -51.63 -53.01 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -67.4 172.0 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -96.52 -48.16 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -104.2 -60.07 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.81 -176.76 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.0 34.46 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.3 t -67.93 141.52 56.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -165.99 157.49 13.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.504 -179.972 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -108.75 127.17 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -102.59 85.81 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.5 -77.29 1.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -120.65 111.42 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -59.58 -43.26 93.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.15 44.03 10.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.64 121.24 12.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.8 p -113.67 169.24 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -108.19 82.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 39.15 46.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.68 79.78 8.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 14' ' ' ILE . 13.6 tp10 -61.69 -38.69 88.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' C ' ' O ' ' A' ' 13' ' ' GLU . 87.2 mt -33.27 133.7 0.32 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 158.9 55.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.61 -38.2 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.4 160.95 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.574 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.0 t -58.24 161.57 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.93 -29.08 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.44 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 53.7 mt -66.82 -36.22 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.5 p -117.58 -14.92 10.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.98 35.81 7.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -123.2 174.38 7.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.05 128.53 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.1 m-85 -50.46 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -106.79 107.28 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.5 m-20 55.9 52.88 7.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.2 Cg_endo -69.78 141.69 45.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.266 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 30.8 m -121.14 141.47 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.71 132.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.6 p -105.79 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -63.54 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 p -80.67 13.85 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 56.73 44.74 23.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -124.47 161.74 25.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 69' ' ' LEU . 9.2 m-85 -124.29 145.69 49.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.77 144.95 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.2 m -52.71 130.43 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -40.96 -33.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -80.57 -45.76 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -60.03 -47.44 85.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.03 -47.77 80.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.83 -60.84 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.46 -55.67 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.1 t60 -58.58 -40.98 84.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.51 -42.93 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -53.71 -54.44 37.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.74 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.02 117.79 43.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.386 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -115.77 175.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.3 t -66.47 171.62 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 36.1 t80 -101.78 -24.14 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 63.0 mt -99.79 -56.9 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -92.15 -9.36 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 34.9 t70 50.16 46.06 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.39 154.88 37.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 93.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.9 p -74.6 -23.36 58.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.86 33.94 64.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.09 40.28 95.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.2 mt -112.84 129.54 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.454 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 77.4 m-85 -150.77 118.62 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -106.08 145.85 31.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.19 3.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.5 39.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -41.29 23.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.0 -53.72 55.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 36' ' ' TYR . 15.5 tp -45.45 -46.19 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt -67.55 -47.93 68.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 -38.39 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -64.12 -51.58 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -54.38 -54.75 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -87.77 117.18 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -44.37 132.18 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 t -105.29 -61.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.92 -158.35 14.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.77 33.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 t 62.82 44.28 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t -56.03 -46.58 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.471 -179.984 . . . . . . . . 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 -0.338 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -137.67 120.7 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -150.94 143.36 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.08 -110.94 3.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -78.68 163.38 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.801 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -145.09 147.37 32.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.39 58.07 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.19 -175.46 16.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 73.68 53.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.2 130.22 47.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -104.3 38.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -103.93 76.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -104.36 42.38 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.4 mt -90.61 134.81 30.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.652 0.739 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 162.76 40.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.64 -35.69 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -135.29 162.69 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.2 t -60.44 162.07 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -112.87 -29.26 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 42.2 mt -67.39 -33.49 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.3 p -120.45 -11.64 9.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 61.67 32.88 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.62 172.64 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 132.28 42.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -54.69 110.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.73 107.45 17.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 56.66 51.81 5.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 54.1 Cg_endo -69.69 144.82 55.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -125.04 141.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.1 p -88.23 130.65 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 p -104.68 178.42 4.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -64.05 -27.22 68.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 p -81.77 13.06 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 56.81 45.08 22.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.3 m170 -125.82 161.59 27.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.626 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 7.5 m-85 -124.63 144.73 50.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -152.99 143.77 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.0 m -52.43 129.24 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.22 -32.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.3 m -81.37 -46.92 13.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.45 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.9 m -59.23 -44.54 92.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.95 -50.27 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.78 -55.39 17.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -52.52 -52.4 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.3 t60 -62.62 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.46 -41.08 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -55.89 -62.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.93 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 HG22 ' NE2' ' A' ' 45' ' ' HIS . 3.7 t -116.2 117.83 38.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -114.2 176.07 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -67.23 170.37 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.2 t80 -101.23 -21.44 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.675 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.5 mt -101.64 -56.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -91.38 -11.49 37.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 50.78 47.63 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -102.17 156.63 35.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.685 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 90.97 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -68.17 -40.09 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.88 35.97 61.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.85 39.44 97.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.5 mt -116.16 126.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -148.06 115.68 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -98.21 145.81 30.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.02 10.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.59 40.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -52.67 -42.49 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.97 -49.77 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 36' ' ' TYR . 6.9 tp -45.81 -46.61 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.435 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 32.1 mmt -65.38 -41.13 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.64 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -60.2 -52.18 66.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.84 -43.24 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -163.03 148.17 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.3 114.02 13.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 m -96.5 113.8 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.14 112.45 4.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -1.88 9.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.3 m -71.19 104.75 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.8 m -84.17 -58.75 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.484 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 59.7 p 36.57 41.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -95.85 42.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.6 152.05 22.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -134.08 147.62 50.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -98.51 120.19 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.06 -161.94 10.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.35 42.19 6.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -59.14 90.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.61 127.35 33.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -129.78 82.58 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.93 82.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.87 -35.67 79.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -39.58 127.9 1.45 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 158.35 57.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -105.26 -38.06 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -127.97 166.48 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -65.98 162.02 20.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.73 -30.72 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 81.0 mt -65.1 -36.54 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.9 p -116.96 -14.7 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 64.7 32.68 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -120.99 173.7 7.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 126.35 25.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.1 m-85 -50.01 112.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -110.18 106.14 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.6 m-20 56.59 52.73 6.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.73 143.89 52.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.751 2.301 . . . . 0.0 112.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 m -122.05 141.49 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 9.2 p -88.5 128.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -102.88 177.74 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.46 -27.76 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.1 p -80.55 11.22 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 58.06 43.48 20.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.1 m170 -124.78 160.7 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.7 m-85 -121.66 146.51 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.32 142.78 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 m -52.69 128.8 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -39.03 -34.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -79.37 -46.12 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -59.86 -45.86 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . . . -58.72 -43.89 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.52 -52.46 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.6 t60 -60.38 -47.99 83.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.08 -40.73 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.83 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.419 HG21 ' NE2' ' A' ' 45' ' ' HIS . 9.7 t -114.06 116.93 44.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.61 2.67 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.62 2.213 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -114.68 174.73 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -66.2 170.1 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.1 t80 -100.69 -22.67 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.3 mt -101.18 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.21 -10.34 42.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 t70 48.35 49.03 18.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -104.43 157.07 34.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.26 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -70.59 -31.11 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.31 38.8 97.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.72 39.0 96.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.41 130.65 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 89.1 m-85 -152.31 110.13 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 2.3 m120 -95.78 145.88 30.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 123.93 10.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.33 40.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.046 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.9 -40.07 55.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.98 -57.58 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 36' ' ' TYR . 12.1 tp -39.2 -45.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' ALA . 36.1 mmt -65.01 -52.17 57.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' MET . . . -36.7 -42.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -63.17 -59.4 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.71 -53.6 45.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -136.15 137.34 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 100.95 13.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.3 m -56.25 -45.89 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.24 176.17 14.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -34.11 15.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -41.84 115.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -78.78 143.45 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.459 -179.97 . . . . . . . . 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 -0.352 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -140.95 138.76 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.935 0.398 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -90.68 155.4 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.21 151.31 23.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -94.55 156.31 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -161.68 153.98 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.1 1.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.57 117.47 2.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -113.25 83.54 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -161.59 145.91 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.47 147.49 50.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.9 pm0 -120.11 103.68 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ILE . 8.2 mt-10 -51.39 -39.97 58.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.421 ' C ' ' O ' ' A' ' 13' ' ' GLU . 90.0 mt -36.35 135.6 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.69 52.49 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -107.62 -37.67 6.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -133.6 162.9 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -58.68 162.11 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.99 -30.36 7.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.502 HG12 ' CG ' ' A' ' 53' ' ' TYR . 53.1 mt -65.93 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.499 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -116.2 -14.21 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 63.11 36.5 12.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -124.09 170.95 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 126.09 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.06 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -106.64 107.5 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 m-20 56.43 52.93 7.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.8 148.35 64.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -129.99 139.96 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' ASN . 8.5 p -87.79 128.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -101.84 177.91 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.16 -26.38 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -81.58 10.04 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 59.99 45.55 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 60.3 m170 -126.96 162.06 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 5.9 m-85 -123.75 143.08 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.99 141.89 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.9 m -51.59 129.03 24.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -39.07 -35.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -78.75 -48.6 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.3 m -56.83 -45.92 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -47.62 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.94 -59.62 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -50.48 -49.87 54.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 38.0 t60 -62.35 -38.11 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -39.81 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -56.14 -61.66 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.494 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -126.07 117.53 23.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -106.68 175.2 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -69.33 168.73 13.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 22.4 t80 -97.3 -15.31 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 67.1 mt -111.54 -56.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.87 -2.33 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 41.88 51.69 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -104.25 157.62 33.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.15 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.637 2.224 . . . . 0.0 112.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -68.27 -21.84 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.52 38.05 85.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.26 42.84 93.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.94 132.28 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 56.7 m-85 -150.93 118.72 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.1 m120 -108.63 146.35 33.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 116.7 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.91 36.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -51.38 -51.61 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.28 -39.58 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 36' ' ' TYR . 2.1 tp -70.8 -40.76 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -60.96 -34.73 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.02 -43.06 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -66.35 -59.55 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -52.49 -57.85 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -112.11 143.97 42.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -114.79 178.67 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.2 t -148.55 152.52 36.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.05 119.12 5.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 84.3 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.5 t -171.29 126.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.5 m -85.78 -59.46 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.51 -179.992 . . . . . . . . 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 -0.326 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -154.57 141.09 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -147.19 148.98 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 141.83 15.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -101.69 42.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -131.05 169.0 16.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.71 63.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.25 138.82 3.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -122.76 84.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -127.33 98.04 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.05 155.45 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -172.78 109.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -86.39 25.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -92.78 136.68 24.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 158.43 57.0 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 9.2 t80 -107.01 -35.47 6.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -134.31 165.32 25.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.9 t -61.28 162.26 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -112.89 -30.84 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 95.9 mt -66.68 -32.8 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -120.51 -15.46 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 64.3 36.31 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -123.61 173.26 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.91 123.59 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -46.19 110.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 25' ' ' PHE . 2.8 mm100 -107.81 106.45 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 54.81 53.74 9.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.465 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.2 Cg_endo -69.79 143.29 50.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -122.3 140.99 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.8 p -88.37 131.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -106.76 177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.22 -28.57 69.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.9 p -79.05 9.27 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 59.23 42.84 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.584 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.1 m170 -124.15 162.87 22.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 7.9 m-85 -123.8 147.16 47.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -155.52 142.13 18.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 m -51.58 130.93 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -41.43 -32.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -81.39 -45.91 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 47.4 m -59.78 -48.13 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.51 -47.92 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.08 -59.49 3.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.7 -52.0 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.5 t60 -61.04 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.41 -41.66 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -54.65 -57.98 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -57.93 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.423 HG23 ' NE2' ' A' ' 45' ' ' HIS . 1.8 t -115.7 117.33 40.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.575 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 3.14 2.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -112.35 174.28 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.413 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.1 t -67.99 170.21 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.4 t80 -101.44 -21.43 14.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.646 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.8 mt -100.8 -56.43 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.19 -11.56 35.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 11.4 t0 50.52 49.16 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -103.25 156.51 35.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 88.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -68.18 -40.22 82.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.67 34.97 59.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.46 96.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -111.98 135.15 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.402 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 83.1 m-85 -157.19 126.08 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -111.36 145.76 33.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.97 3.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.347 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.42 40.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.045 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -50.49 -39.69 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.12 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 36' ' ' TYR . 13.4 tp -41.81 -45.93 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.465 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 36.8 mmt -61.12 -41.86 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -39.56 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -53.71 -56.86 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -144.37 105.78 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -53.77 -26.31 23.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 4.0 t -113.86 100.88 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.56 -179.95 36.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.8 Cg_endo -69.74 118.32 5.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' PRO . 20.6 m -37.7 145.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.4 p -70.14 116.13 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.518 179.994 . . . . . . . . 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 -0.337 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -80.15 141.51 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -124.04 133.62 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.7 -170.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -160.85 150.33 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -113.8 91.62 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -92.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.93 167.42 39.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -168.77 169.52 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 48.47 41.06 16.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 12' ' ' GLU . 10.8 pt-20 -70.89 168.47 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -109.49 88.83 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ILE . 12.3 pt-20 -50.78 -41.95 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' GLU . 98.4 mt -35.35 133.69 0.48 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' N ' HG21 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.8 157.67 59.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -104.2 -38.46 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -132.38 165.52 24.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 43.2 t -63.56 161.64 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.1 -30.26 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 66.7 mt -66.2 -30.97 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.8 p -122.44 -17.12 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.51 34.44 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.76 172.85 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.48 123.44 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.7 m-85 -44.72 112.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -108.55 106.79 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 53.19 54.13 12.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 54.1 Cg_endo -69.78 146.61 60.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 m -127.89 141.68 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.2 p -86.86 130.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -103.22 178.42 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 2.0 mptt -64.31 -26.83 68.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.19 11.97 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 58.26 47.29 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.603 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.9 m170 -129.5 161.63 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 13.6 m-85 -122.49 145.65 48.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.603 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.97 140.49 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.3 m -50.37 128.74 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.26 -29.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' CYS . 14.9 m -84.85 -49.53 8.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 57.8 m -58.13 -35.26 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.11 -55.65 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.94 -47.88 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 4.7 pt-20 -54.43 -45.79 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.473 ' N ' ' CG ' ' A' ' 44' ' ' GLU . 3.6 t60 -68.88 -44.56 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.2 -42.44 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.49 -59.02 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.76 -60.08 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.412 HG22 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.03 116.28 44.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.95 2.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -108.03 175.17 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.479 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.7 t -69.93 171.0 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.46 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -100.13 -22.86 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.673 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mt -101.38 -58.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.45 -6.08 47.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.479 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.4 m-20 44.71 49.04 8.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.07 156.2 36.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 p -61.68 -41.99 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.88 57.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.31 37.92 94.46 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.417 HG22 ' CE ' ' A' ' 32' ' ' LYS . 70.8 mt -114.77 124.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -145.38 127.22 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 5.3 m120 -108.01 146.84 34.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.43 3.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 40.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -52.64 -39.13 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.98 -57.64 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD21 ' CE1' ' A' ' 36' ' ' TYR . 12.6 tp -38.77 -45.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.47 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 33.0 mmt -66.85 -46.21 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.02 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -54.4 -53.66 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 mt -50.02 -55.77 13.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -47.83 148.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.6 mptp? -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 m -146.27 162.47 38.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.75 -168.06 23.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.43 21.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.388 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -84.21 146.14 27.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.5 t -73.27 131.13 41.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.481 -179.996 . . . . . . . . 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 -0.319 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -64.48 93.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -129.45 89.77 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.47 68.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 p -148.88 156.93 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -132.58 108.59 9.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.03 -176.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.52 -129.28 9.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t 67.83 47.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -70.2 129.38 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -91.5 105.41 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -114.19 86.98 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.48 -35.65 77.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -39.9 132.74 1.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.69 59.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.24 -38.18 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -127.17 168.01 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 36.2 t -67.74 161.61 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.48 -32.19 6.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 71.2 mt -64.1 -30.26 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' A' ' 23' ' ' GLN . 17.2 p -123.6 -14.82 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 65.12 33.59 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -121.08 176.03 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.28 124.7 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -47.25 112.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -112.34 106.26 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 58.55 51.09 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.79 146.42 59.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.18 141.61 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.61 130.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 p -105.32 177.97 4.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -63.09 -28.21 69.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -78.89 6.47 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 62.11 46.75 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.7 m170 -128.87 161.61 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.9 m-85 -121.53 145.2 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.63 140.36 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.7 m -51.23 128.94 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.35 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' CYS . 47.1 t -85.81 -46.68 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 55.7 m -61.81 -30.15 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.16 -53.61 10.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.78 -43.84 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 12.9 pt-20 -57.14 -49.14 76.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.507 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 3.9 t60 -67.3 -38.93 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -54.42 -41.95 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -53.26 -56.48 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -116.83 116.81 38.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.548 0.69 . . . . 0.0 111.131 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -104.04 178.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.4 t -74.69 168.01 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.507 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 34.9 t80 -100.03 -15.16 18.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.0 mt -107.56 -57.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -95.65 -5.38 42.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 31.9 t70 45.85 50.46 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.63 157.72 33.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 88.51 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.5 p -72.42 -30.1 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.7 38.61 92.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.51 37.04 94.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -110.27 133.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -156.83 113.35 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.98 145.78 30.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.77 3.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.61 44.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -55.45 -35.64 65.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 69' ' ' LEU . 13.1 pt-20 -64.79 -43.98 91.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.596 ' CD2' ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -54.59 -48.28 72.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.451 ' CE ' HD22 ' A' ' 69' ' ' LEU . 37.8 mmt -61.53 -40.91 96.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -62.58 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -41.2 -47.31 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.83 -52.72 55.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -129.29 134.61 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 72.99 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.5 p -85.99 146.39 26.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.93 -166.97 11.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.95 5.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' SER . 26.6 m -77.02 161.44 28.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' SER . 22.2 t -36.99 137.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.458 179.995 . . . . . . . . 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 . . . . . 0.448 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.3 t -34.94 116.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -93.98 83.42 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -149.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -49.8 137.8 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.55 137.76 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.43 -128.47 4.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.58 -167.35 40.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -171.2 152.21 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -110.93 144.39 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.03 93.62 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -174.2 118.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.8 25.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.39 127.21 40.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.66 -37.05 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -126.64 166.79 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.6 t -67.38 162.28 23.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -111.46 -32.33 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 84.9 mt -63.51 -36.22 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.8 p -116.84 -16.13 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 65.97 32.22 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -121.2 172.55 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 127.22 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -51.78 111.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -108.13 109.75 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 52.72 53.15 11.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.8 145.19 56.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 29.6 m -125.42 146.17 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 10.8 p -87.57 129.92 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 p -101.29 179.14 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.4 17.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? 53.85 42.64 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.616 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.2 m170 -121.68 158.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 18.9 m-85 -116.55 145.57 43.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -154.1 140.52 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.7 m -50.16 128.52 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -38.98 -32.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 -47.6 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -58.77 -44.41 90.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.76 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.17 -61.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -46.69 -52.41 13.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 6.4 t60 -62.44 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -48.72 -39.49 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -59.69 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.82 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.429 HG23 ' NE2' ' A' ' 45' ' ' HIS . 4.3 t -116.1 117.5 39.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.64 2.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -116.06 176.99 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 10.8 t -69.7 170.3 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.582 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.6 t80 -102.88 -22.71 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.7 mt -97.04 -57.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.7 p -92.9 -13.56 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 36.0 m-20 54.69 47.52 22.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -109.67 155.87 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.68 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.1 p -56.99 -37.0 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.57 20.26 51.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.85 22.57 72.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.529 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.81 134.23 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -146.98 105.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 2.4 m-80 -94.43 145.8 30.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.09 3.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.19 38.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.4 -48.42 79.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.561 HD23 ' CD1' ' A' ' 36' ' ' TYR . 5.8 tp -48.37 -54.35 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.461 ' CE ' HD21 ' A' ' 69' ' ' LEU . 35.0 mmt -58.44 -44.1 89.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.89 -40.24 6.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -65.41 -61.4 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.1 -43.77 15.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.41 132.56 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.0 103.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -47.5 136.4 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.6 -82.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.51 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' SER . 30.7 t -94.91 -52.14 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' SER . 28.1 t -38.09 -54.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.514 179.932 . . . . . . . . 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 -0.271 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -162.77 120.98 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -82.35 -44.67 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.48 -158.58 14.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -126.19 150.64 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -120.32 165.19 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.66 -86.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.01 -150.52 21.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -83.48 80.83 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -79.44 93.51 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.7 88.95 2.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -124.32 79.59 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' ILE . 20.5 tp10 -69.52 -38.6 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 13' ' ' GLU . 90.2 mt -35.37 137.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' CG2' ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.76 159.98 51.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -110.13 -37.59 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.15 164.29 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.525 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 38.2 t -61.68 162.44 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.59 -31.91 6.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 82.4 mt -64.75 -34.08 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.9 p -119.43 -14.8 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 64.25 32.17 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.33 172.92 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.52 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.525 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.0 m-85 -53.87 109.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -109.1 109.62 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 55.57 51.42 6.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.81 147.36 62.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.82 141.82 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.42 133.33 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -108.31 177.86 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -59.98 -31.05 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 p -78.73 11.38 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 57.25 41.84 26.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.4 m170 -121.16 160.8 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.605 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 5.9 m-85 -122.05 143.26 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.45 144.84 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' SER . 32.8 m -54.34 127.36 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.8 tt0 -37.22 -32.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' CYS . 16.6 m -81.57 -48.88 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.5 m -57.17 -41.1 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.71 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.99 -62.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.82 -51.0 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' A' ' 49' ' ' THR . 17.9 t60 -62.89 -44.9 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -48.47 -43.17 34.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.02 -59.24 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.17 -56.73 9.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 45' ' ' HIS . 3.9 t -117.24 116.63 37.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.4 3.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -111.49 179.13 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -70.73 168.16 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.8 t80 -99.95 -16.12 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.2 mt -106.95 -57.87 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.9 p -95.65 -4.79 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.472 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.2 m-20 45.05 50.48 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -101.89 156.81 34.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.55 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 64.1 p -66.18 -41.45 90.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.44 31.95 52.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.9 33.06 84.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' CD1' ' A' ' 63' ' ' PHE . 47.9 mt -106.25 135.16 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.504 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 62.0 m-85 -157.87 105.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -98.98 145.98 30.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.49 3.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.29 38.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -48.26 -55.37 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -43.71 -44.08 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 36' ' ' TYR . 4.4 tp -64.81 -34.56 78.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -70.36 -39.39 74.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.01 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.87 -62.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.8 mt -51.95 -58.32 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' MET . 5.3 pm0 -147.35 165.96 28.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' GLY . 7.6 t -99.82 -50.38 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' SER . . . -36.57 114.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.2 p -61.83 141.66 57.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -151.91 123.02 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.462 179.973 . . . . . . . . 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 -0.341 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -146.05 157.05 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -130.02 153.58 48.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 77.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -116.1 161.3 19.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -86.71 145.48 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.44 104.01 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.36 78.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 t -69.13 -43.06 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 45.48 47.65 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -43.95 127.46 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -115.66 81.31 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 5.6 mm-40 -55.69 -38.99 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' GLU . 92.9 mt -34.91 136.0 0.4 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 158.11 57.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -104.54 -34.97 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.5 162.23 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 51.2 t -61.1 162.0 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.04 -28.87 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 43.4 mt -66.68 -35.34 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.6 p -119.37 -11.92 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 61.17 36.44 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -123.18 172.56 8.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.81 125.73 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.6 m-85 -48.24 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -106.04 108.82 20.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 54.36 52.93 9.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.73 147.13 62.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -128.26 141.21 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.32 131.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -103.89 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -66.2 -23.75 66.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -85.6 13.46 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 58.22 42.76 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.4 m170 -124.37 160.03 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 9.1 m-85 -123.41 146.34 48.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.601 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.12 146.35 23.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.6 m -55.61 128.96 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.74 -32.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -80.92 -46.26 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.447 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.5 m -59.49 -46.17 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.46 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.99 -56.89 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -51.69 -53.29 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 16.8 t60 -60.51 -40.63 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.81 -40.05 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.72 -53.53 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.415 HG22 ' NE2' ' A' ' 45' ' ' HIS . 2.9 t -115.51 118.12 39.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.555 0.693 . . . . 0.0 111.153 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -114.31 171.91 7.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 9.7 t -63.33 171.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 48.1 t80 -101.12 -25.05 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.1 mt -98.62 -57.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.6 p -89.97 -11.76 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.4 m-20 51.17 47.37 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -103.96 157.51 33.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.39 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 76.4 p -77.39 -26.48 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.69 23.02 64.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 36.56 57.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -112.07 127.15 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -148.48 122.12 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -105.21 146.47 32.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.62 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -53.18 -41.96 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 35.5 mt-10 -58.71 -61.48 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 36' ' ' TYR . 9.4 tp -34.68 -51.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.405 ' CE ' ' CD2' ' A' ' 69' ' ' LEU . 39.4 mmt -60.9 -58.31 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.61 -45.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -59.18 -55.28 37.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.4 mt -48.33 -55.57 10.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -167.34 157.52 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -154.18 141.12 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 t -97.52 -47.37 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.23 90.38 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 m -132.1 109.89 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -77.62 130.87 37.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.456 179.973 . . . . . . . . 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 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -83.67 89.26 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -148.88 154.33 39.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.06 -173.93 14.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -79.76 83.07 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -129.19 88.56 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.56 47.48 0.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.37 112.56 3.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.534 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -131.38 167.95 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.5 151.78 51.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.96 48.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -120.28 79.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.7 tp10 -55.21 -36.02 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' GLU . 51.4 mt -33.76 129.2 0.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.56 59.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -102.56 -37.37 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.2 ptt85 -131.64 169.85 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t -67.59 162.17 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.95 -30.65 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 48.4 mt -64.42 -38.96 83.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -115.28 -16.75 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mmm-85 66.72 37.36 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -126.35 171.43 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.03 131.26 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.5 m-85 -55.64 110.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.6 103.53 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 60.27 52.46 3.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.79 144.18 53.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -123.13 141.08 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.93 137.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -112.29 178.27 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.22 -30.08 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.63 10.98 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 58.07 49.54 11.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 50.7 m170 -129.6 160.0 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -122.3 146.72 47.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.88 144.09 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.2 m -53.74 128.24 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -38.85 -32.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -81.41 -46.24 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.456 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.4 m -59.89 -46.26 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . . . -57.93 -48.81 78.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.26 -60.36 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.51 -55.35 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 41.0 t60 -60.32 -38.11 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -55.67 -42.53 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -54.85 -57.93 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.85 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.5 t -130.87 116.89 17.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.144 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -115.64 165.09 13.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.475 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.9 t -58.69 168.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 13.1 t80 -100.18 -17.39 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.7 mt -105.93 -58.24 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.404 ' SG ' ' HG3' ' A' ' 57' ' ' GLN . 29.5 p -94.38 -6.11 44.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.475 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-20 48.04 46.2 19.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' HG3' ' SG ' ' A' ' 55' ' ' CYS . 5.8 mt-30 -87.72 156.73 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.4 p -74.26 -42.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.21 34.03 66.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.75 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -110.62 132.75 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 88.7 m-85 -156.8 121.16 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -103.69 145.77 31.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.9 5.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.82 41.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -51.23 -43.05 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.13 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -37.82 -55.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 28' ' ' PRO . 35.9 mmt -59.66 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.42 -39.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -65.7 -48.95 70.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -59.88 -46.77 88.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -80.7 145.86 31.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -87.91 151.41 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 t -76.17 84.31 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.54 145.64 15.31 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 90.56 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -57.61 90.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 m -160.01 122.96 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.453 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -96.09 174.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -120.27 127.55 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.85 139.72 21.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 p -117.47 101.59 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -112.69 80.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.94 53.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.12 44.26 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -83.1 90.14 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.92 136.9 45.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -122.44 46.99 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.85 80.7 2.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.4 mt-10 -55.56 -37.06 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLU . 52.0 mt -37.42 129.21 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.67 62.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -103.6 -38.32 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -129.88 160.86 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.5 t -60.13 161.14 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.671 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.59 -29.66 7.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 53' ' ' TYR . 58.5 mt -66.34 -33.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.497 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 11.6 p -119.87 -14.64 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 64.81 29.0 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -117.85 168.8 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.91 130.77 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.563 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -52.93 112.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -109.89 105.67 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 55.93 53.11 7.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.82 143.63 51.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -122.66 141.12 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.6 p -88.23 129.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -104.33 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -63.07 -28.24 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -79.84 10.97 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 58.42 43.16 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 51.6 m170 -124.5 162.99 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.66 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.6 m-85 -124.48 146.61 48.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -154.86 143.29 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.57 129.5 29.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -40.2 -33.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -80.57 -47.97 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.8 m -57.75 -47.85 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.15 73.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.29 -56.83 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -50.34 -55.24 16.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -56.54 -38.95 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -60.38 -36.87 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -48.35 -55.79 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.62 -63.27 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.2 t -111.21 117.14 50.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 111.144 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.15 3.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -100.13 178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.9 t -73.42 169.36 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CD2' HG12 ' A' ' 20' ' ' ILE . 25.4 t80 -100.97 -18.27 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.671 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.7 mt -104.21 -56.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.56 -7.82 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.5 t70 46.43 51.19 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -98.99 157.33 34.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.39 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 44.5 p -66.81 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.15 35.96 71.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.52 36.05 92.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.2 mt -109.57 134.04 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -154.16 117.85 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.62 146.08 31.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 109.9 2.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.4 40.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -48.89 -50.45 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -48.36 -57.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 36' ' ' TYR . 9.2 tp -41.09 -55.76 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.424 ' HE3' ' CD2' ' A' ' 69' ' ' LEU . 35.9 mmt -56.08 -41.53 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.49 -47.81 66.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.55 -45.04 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.77 -51.74 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -161.5 130.98 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 144.72 55.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -140.41 132.62 28.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.39 -106.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -10.36 28.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.0 t -57.24 -62.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.9 m -100.65 153.54 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.469 -179.951 . . . . . . . . 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 ' 14' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.7 mt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.616 0.722 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 14' ' ' ILE . 54.0 Cg_endo -69.74 162.16 43.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -110.57 -36.46 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -132.7 164.38 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.6 t -61.12 161.01 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -112.55 -28.58 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 41' ' ' CYS . 86.4 mt -67.82 -35.17 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.0 p -118.29 -14.19 9.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 64.7 35.06 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.69 174.9 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.69 127.94 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.9 m-85 -51.49 111.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -109.99 102.13 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.4 m-20 61.09 52.55 2.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.78 142.68 48.49 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.76 139.06 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.627 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.9 p -88.01 133.81 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -109.11 178.13 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 p -81.36 12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 56.09 46.59 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.5 m-70 -128.14 160.0 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.8 m-85 -123.05 147.53 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.79 141.16 18.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.6 m -50.48 128.64 20.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -39.69 -31.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.55 -43.24 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' CYS . 51.2 m -63.51 -43.62 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.94 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.48 -51.39 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.91 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 31.0 t60 -58.5 -45.24 89.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -51.72 -41.9 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -54.08 -57.74 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -55.77 13.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' THR . 10.2 t -120.4 121.65 29.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.95 13.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.97 179.78 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -75.46 169.13 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -98.28 -15.63 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 59.4 mt -109.56 -55.09 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.0 p -93.52 -8.54 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.428 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 29.7 m-20 45.41 50.04 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -104.58 157.98 32.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.9 p -63.28 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 35.99 63.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.59 37.2 93.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.2 mt -111.91 136.81 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -156.71 128.87 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.6 m-80 -112.22 145.83 33.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -88.7 36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -52.75 -38.06 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.22 -39.18 85.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.9 tp -60.4 -46.59 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.9 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.832 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.04 58.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -106.59 -38.17 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -129.26 164.72 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -62.05 162.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.91 -29.98 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 41' ' ' CYS . 85.3 mt -66.72 -34.38 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.5 p -118.89 -14.47 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 64.86 29.32 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -118.19 173.53 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.551 ' HB3' HE22 ' A' ' 26' ' ' GLN . . . -54.41 136.18 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.2 m-85 -59.92 113.83 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.551 HE22 ' HB3' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -111.79 99.49 8.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 62.94 52.64 1.68 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.7 142.38 48.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.736 2.29 . . . . 0.0 112.369 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 m -121.33 141.84 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 64' ' ' ASN . 7.2 p -88.06 130.91 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -104.75 178.16 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -63.27 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.2 p -80.21 12.35 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 57.06 47.36 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.7 m-70 -128.34 161.82 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 1.068 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -123.27 145.56 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.46 142.95 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 m -52.1 129.88 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -39.88 -34.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -79.42 -45.77 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.6 m -60.51 -44.9 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -50.51 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.38 -60.2 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -47.61 -52.72 16.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t60 -62.24 -44.81 95.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -50.47 -40.95 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -53.38 -56.79 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 49' ' ' THR . 11.3 t -109.37 117.53 52.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.57 2.7 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -113.24 177.13 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.48 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.7 t -69.67 169.17 13.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 7.9 t80 -100.36 -18.06 16.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 50.9 mt -104.77 -58.55 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.01 -5.45 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 9.2 m-20 45.58 50.67 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -96.17 158.68 33.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -72.09 -41.77 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.77 35.08 89.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.63 91.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.71 137.24 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.547 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 93.7 m-85 -156.08 124.31 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 30' ' ' VAL . 7.7 m120 -105.16 145.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 127.61 14.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -109.43 43.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -68.43 -48.0 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.068 HD22 ' CE1' ' A' ' 36' ' ' TYR . 8.7 tp -51.91 -45.35 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.1 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 15' ' ' PRO . 71.9 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.63 0.729 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.72 157.06 61.78 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -103.16 -38.8 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -132.3 163.77 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.4 t -60.44 162.23 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -112.13 -30.22 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' CYS . 87.1 mt -65.98 -37.46 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -116.5 -14.4 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 63.87 35.09 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.74 171.34 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.2 129.13 27.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.0 m-85 -51.71 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -108.03 111.08 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.7 m-20 52.49 52.18 10.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.76 148.95 66.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.3 m -131.01 142.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.19 135.0 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 p -108.24 178.05 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -64.14 -27.45 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.72 11.58 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 58.75 44.96 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.3 m170 -125.93 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.777 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -124.7 145.08 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.5 143.85 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 m -53.16 129.5 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.59 -35.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -78.99 -46.09 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.578 ' HB3' HD12 ' A' ' 20' ' ' ILE . 52.9 m -59.7 -43.72 93.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.99 -52.67 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.78 -56.76 11.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -50.45 -51.96 42.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 27.5 t60 -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -59.26 -38.47 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -57.21 -56.76 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.26 -57.16 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.9 t -116.93 118.24 36.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.15 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.74 2.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -110.54 176.78 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -71.04 170.49 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 t80 -99.82 -21.56 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 58.9 mt -102.12 -58.15 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -90.87 -9.76 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.9 m-20 48.22 49.29 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -102.92 156.53 35.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -67.37 -41.19 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.54 33.92 46.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.2 40.66 99.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.47 129.9 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.531 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 85.5 m-85 -151.02 114.77 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -99.79 146.07 31.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.65 5.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.38 41.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -49.91 -46.36 51.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.777 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.5 tp -46.58 -50.91 16.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.9 mmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.591 0.71 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.8 158.0 58.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -105.3 -35.68 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.3 ptt-85 -131.55 165.7 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.6 t -64.25 161.48 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -112.4 -29.41 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 53' ' ' TYR . 74.7 mt -66.55 -31.76 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 17.7 p -122.94 -13.59 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 26.6 mmt180 62.76 36.77 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.5 mm-40 -124.64 169.94 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 125.56 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -49.76 109.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.71 108.23 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 55.19 52.67 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.4 Cg_endo -69.79 148.36 64.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -127.43 140.21 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.05 132.52 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.7 p -106.44 178.3 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 p -82.65 13.2 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.78 45.63 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.5 m-70 -126.84 160.74 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 69' ' ' LEU . 8.6 m-85 -122.65 147.67 46.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.92 142.75 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 m -53.83 129.39 33.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -40.76 -31.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -81.74 -46.76 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 m -58.86 -48.07 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.11 -49.33 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -68.06 -60.99 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.28 -53.28 22.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.59 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 29.2 t60 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -50.07 -48.26 53.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -47.58 -51.24 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -53.87 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' THR . 9.7 t -120.14 117.56 31.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.712 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.89 3.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -116.62 173.97 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.4 t -63.11 170.4 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 45.2 t80 -101.8 -23.9 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.5 mt -98.63 -56.67 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.9 p -92.24 -10.93 36.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 48.99 49.78 18.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -102.29 157.65 33.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 88.48 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.5 p -67.45 -37.91 83.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.13 32.7 65.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.33 35.58 91.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.531 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.92 128.7 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -152.64 122.98 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -108.89 145.98 32.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 114.25 3.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.96 39.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -49.55 -39.59 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' LEU . 6.9 mp0 -58.75 -57.99 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.9 tp -37.0 -50.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.541 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.1 mmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.646 0.736 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.4 Cg_endo -69.78 157.56 59.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -103.74 -39.23 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -132.0 163.43 28.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.2 t -61.66 162.11 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.92 -29.6 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 58.1 mt -66.38 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.4 p -119.38 -13.43 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 63.14 33.37 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -120.74 174.8 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.46 125.95 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.9 m-85 -48.19 112.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.56 106.6 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 m-20 56.06 52.46 7.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.77 143.24 50.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 m -122.32 142.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.58 131.7 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -105.34 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -63.37 -27.96 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.22 10.93 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 58.93 42.82 18.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.1 m-70 -123.74 163.56 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.946 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -125.5 147.02 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.46 142.31 19.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 m -50.5 131.7 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -41.34 -35.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 t -79.05 -46.99 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -58.43 -48.44 80.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.85 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -59.82 -56.46 21.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.95 -57.1 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.617 ' NE2' HG21 ' A' ' 49' ' ' THR . 12.0 t60 -55.46 -45.32 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -50.16 -44.21 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -53.03 -55.87 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.83 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.617 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.7 t -109.68 116.68 53.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.92 3.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -116.14 172.23 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.8 t -65.49 170.18 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 54.7 t80 -101.42 -22.65 14.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.1 mt -100.43 -55.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.03 -11.48 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 m-20 49.41 48.81 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -103.42 156.83 34.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.2 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -67.91 -41.25 82.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.2 35.03 54.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.36 41.14 99.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.97 128.54 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -151.77 124.79 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -109.33 145.95 32.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.86 41.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -46.18 -42.76 14.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' LEU . 69.5 mm-40 -56.2 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' CE1' ' A' ' 36' ' ' TYR . 55.4 tp -35.1 -51.1 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.571 ' HE1' ' HG ' ' A' ' 69' ' ' LEU . 32.4 mmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 15' ' ' PRO . 73.0 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.66 0.743 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.77 153.69 68.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -101.27 -38.27 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -131.63 163.31 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.5 t -61.34 161.47 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.52 -29.22 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 65.0 mt -66.97 -36.44 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.3 p -117.07 -14.22 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 64.33 32.51 12.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -119.87 175.44 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 126.38 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.36 110.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -109.16 102.14 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 4.7 m-20 61.34 52.54 2.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.3 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 63' ' ' PHE . 20.4 m -125.54 141.75 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.78 134.49 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -109.71 178.2 4.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -62.9 -27.71 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 57' ' ' GLN . 6.0 p -81.98 12.83 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 56.59 44.47 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 49.8 m170 -124.24 161.51 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.631 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -124.79 143.55 50.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.51 143.61 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.0 m -51.62 129.7 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -39.13 -34.77 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.2 t -79.55 -45.27 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -60.51 -45.42 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.14 -52.26 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.07 -57.79 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -48.45 -53.62 17.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 15.0 t60 -61.47 -40.1 93.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.3 -40.61 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -54.28 -54.85 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 49' ' ' THR . 6.3 t -112.4 117.24 47.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.555 0.693 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.23 2.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -111.52 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.465 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -69.73 169.97 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.5 t80 -100.75 -18.37 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.5 mt -104.77 -58.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.07 -6.56 44.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 5.2 m-20 48.67 49.07 19.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -98.3 153.2 38.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 86.32 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 p -66.71 -35.8 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.7 37.7 89.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.51 40.38 99.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.5 mt -115.69 128.05 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 63.8 m-85 -152.42 120.82 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -105.92 146.03 32.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.47 5.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.88 40.06 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -45.07 -46.88 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 10.1 tp10 -53.02 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.631 HD22 ' CE1' ' A' ' 36' ' ' TYR . 17.4 tp -34.35 -49.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 37.5 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.91 32.78 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -109.13 -37.04 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -135.73 163.52 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.4 t -60.48 162.23 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.05 -30.48 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 72.2 mt -66.04 -35.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.6 p -117.56 -15.77 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 65.02 34.22 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.24 172.73 8.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.3 126.9 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 7.9 m-85 -49.86 112.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.28 103.95 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 58.09 52.97 5.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.7 Cg_endo -69.74 146.18 59.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.0 m -124.74 140.52 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -88.44 134.85 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 p -110.88 177.62 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 62' ' ' ILE . 30.0 mtmt -61.33 -28.4 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -80.87 12.84 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? 55.42 44.94 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.2 m-70 -125.08 161.04 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.945 ' CE1' HD22 ' A' ' 69' ' ' LEU . 12.1 m-85 -123.25 146.92 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.65 142.91 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.05 128.93 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -38.66 -34.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 t -79.46 -46.29 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -59.74 -47.8 84.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.76 -48.27 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.64 -58.45 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.28 -50.93 48.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t60 -60.23 -41.39 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -54.34 -41.4 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -54.38 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -57.46 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.451 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.6 t -117.64 117.58 35.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.187 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -112.35 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -67.19 170.36 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.4 t80 -100.74 -21.89 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.9 mt -100.63 -58.78 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.3 p -91.41 -9.81 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 23.8 m-20 49.59 49.6 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.87 156.65 34.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 89.42 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -69.38 -33.57 73.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.54 92.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.55 39.13 96.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 ' HE2' ' A' ' 32' ' ' LYS . 84.2 mt -113.39 135.47 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' HG21 ' A' ' 29' ' ' VAL . 76.6 m-85 -157.16 114.71 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -97.27 145.88 30.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.19 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.43 42.18 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -51.52 -46.59 63.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.14 -56.22 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.945 HD22 ' CE1' ' A' ' 36' ' ' TYR . 23.9 tp -39.11 -54.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 35.2 mmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.61 0.719 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.8 162.15 43.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -105.95 -37.14 6.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -135.72 161.51 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -57.98 161.82 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.84 -30.42 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.529 HG12 ' CD2' ' A' ' 53' ' ' TYR . 69.1 mt -65.49 -36.98 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 14.1 p -116.76 -14.56 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 64.19 35.13 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -122.34 175.22 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.22 126.24 26.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.9 m-85 -49.39 111.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -109.44 105.65 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 57.05 52.8 6.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.82 141.4 44.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.0 m -120.52 141.91 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.44 134.88 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 p -109.46 178.05 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -63.16 -27.74 69.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -82.26 14.84 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 54.67 45.58 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.4 m-70 -125.6 162.45 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -125.51 146.67 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.64 142.11 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 m -51.1 129.32 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -38.88 -33.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.7 t -81.22 -44.63 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -61.52 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.91 -48.34 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.67 -57.87 5.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.22 -49.1 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.6 t60 -67.33 -33.88 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.26 -45.38 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -52.61 -57.0 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -54.17 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -123.52 118.64 27.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -106.94 175.55 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.2 t -71.18 169.64 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 60.7 t80 -98.7 -19.59 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.1 mt -105.42 -58.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.38 -4.0 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 p-10 42.53 49.13 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -95.83 158.43 34.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 85.12 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' ILE . 63.2 p -67.72 -40.12 84.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.27 37.95 87.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 41.33 99.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 59' ' ' THR . 69.6 mt -114.43 129.59 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.437 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 69.2 m-85 -153.65 122.06 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.92 145.87 31.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.95 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.77 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -52.35 -40.13 61.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.93 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.727 HD23 ' HE3' ' A' ' 70' ' ' MET . 7.3 tp -49.11 -50.16 38.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.727 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.2 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 ' HD2' ' A' ' 15' ' ' PRO . 87.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.82 158.9 55.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.61 -38.2 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.4 160.95 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.0 t -58.24 161.57 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.93 -29.08 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 53.7 mt -66.82 -36.22 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.5 p -117.58 -14.92 10.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.98 35.81 7.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -123.2 174.38 7.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.05 128.53 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.1 m-85 -50.46 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -106.79 107.28 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.5 m-20 55.9 52.88 7.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.2 Cg_endo -69.78 141.69 45.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.266 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 30.8 m -121.14 141.47 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -87.71 132.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.6 p -105.79 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -63.54 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 p -80.67 13.85 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 56.73 44.74 23.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.615 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.2 m-70 -124.47 161.74 25.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.919 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.2 m-85 -124.29 145.69 49.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.77 144.95 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.2 m -52.71 130.43 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -40.96 -33.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -80.57 -45.76 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -60.03 -47.44 85.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.03 -47.77 80.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.83 -60.84 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.46 -55.67 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.1 t60 -58.58 -40.98 84.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.51 -42.93 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -53.71 -54.44 37.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.74 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.02 117.79 43.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.386 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -115.77 175.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.3 t -66.47 171.62 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 36.1 t80 -101.78 -24.14 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 63.0 mt -99.79 -56.9 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -92.15 -9.36 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 34.9 t70 50.16 46.06 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.39 154.88 37.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 93.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.9 p -74.6 -23.36 58.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.86 33.94 64.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.09 40.28 95.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.2 mt -112.84 129.54 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 77.4 m-85 -150.77 118.62 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -106.08 145.85 31.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.19 3.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -91.5 39.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -41.29 23.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.0 -53.72 55.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.919 HD22 ' CD1' ' A' ' 36' ' ' TYR . 15.5 tp -45.45 -46.19 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.523 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.652 0.739 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.7 Cg_endo -69.83 162.76 40.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.64 -35.69 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -135.29 162.69 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.2 t -60.44 162.07 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -112.87 -29.26 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.459 HD13 ' HB3' ' A' ' 41' ' ' CYS . 42.2 mt -67.39 -33.49 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.3 p -120.45 -11.64 9.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 61.67 32.88 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.62 172.64 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 132.28 42.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -54.69 110.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.73 107.45 17.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 56.66 51.81 5.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 54.1 Cg_endo -69.69 144.82 55.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.1 m -125.04 141.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' VAL . 8.1 p -88.23 130.65 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 p -104.68 178.42 4.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -64.05 -27.22 68.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 p -81.77 13.06 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 56.81 45.08 22.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.4 m-70 -125.82 161.59 27.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.765 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.5 m-85 -124.63 144.73 50.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -152.99 143.77 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.0 m -52.43 129.24 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.22 -32.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.3 m -81.37 -46.92 13.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.459 ' HB3' HD13 ' A' ' 20' ' ' ILE . 54.9 m -59.23 -44.54 92.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.95 -50.27 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.78 -55.39 17.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -52.52 -52.4 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.3 t60 -62.62 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.46 -41.08 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -55.89 -62.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.93 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.7 t -116.2 117.83 38.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -114.2 176.07 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -67.23 170.37 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.2 t80 -101.23 -21.44 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.675 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.5 mt -101.64 -56.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -91.38 -11.49 37.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 50.78 47.63 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -102.17 156.63 35.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.685 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 90.97 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -68.17 -40.09 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.88 35.97 61.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.85 39.44 97.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.5 mt -116.16 126.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 87.4 m-85 -148.06 115.68 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -98.21 145.81 30.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.02 10.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.59 40.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -52.67 -42.49 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.97 -49.77 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.765 HD22 ' CE1' ' A' ' 36' ' ' TYR . 6.9 tp -45.81 -46.61 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 32.1 mmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.618 0.723 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 158.35 57.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -105.26 -38.06 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -127.97 166.48 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -65.98 162.02 20.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.73 -30.72 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 81.0 mt -65.1 -36.54 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.9 p -116.96 -14.7 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 64.7 32.68 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -120.99 173.7 7.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 126.35 25.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.1 m-85 -50.01 112.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -110.18 106.14 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.6 m-20 56.59 52.73 6.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.73 143.89 52.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.751 2.301 . . . . 0.0 112.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 m -122.05 141.49 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.2 p -88.5 128.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -102.88 177.74 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.46 -27.76 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.1 p -80.55 11.22 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 58.06 43.48 20.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.3 m-70 -124.78 160.7 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 1.032 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.7 m-85 -121.66 146.51 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.32 142.78 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 m -52.69 128.8 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -39.03 -34.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -79.37 -46.12 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -59.86 -45.86 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.72 -43.89 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.52 -52.46 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.6 t60 -60.38 -47.99 83.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.08 -40.73 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.83 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' THR . 9.7 t -114.06 116.93 44.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.61 2.67 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.62 2.213 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -114.68 174.73 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -66.2 170.1 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.1 t80 -100.69 -22.67 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.3 mt -101.18 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.21 -10.34 42.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 t70 48.35 49.03 18.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -104.43 157.07 34.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.26 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -70.59 -31.11 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.31 38.8 97.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.72 39.0 96.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.41 130.65 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 89.1 m-85 -152.31 110.13 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' HB2' HG13 ' A' ' 30' ' ' VAL . 2.3 m120 -95.78 145.88 30.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 123.93 10.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -105.33 40.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.046 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.9 -40.07 55.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.98 -57.58 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.032 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.1 tp -39.2 -45.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.0 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.75 159.69 52.49 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -107.62 -37.67 6.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -133.6 162.9 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -58.68 162.11 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.99 -30.36 7.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.515 HG12 ' CG ' ' A' ' 53' ' ' TYR . 53.1 mt -65.93 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.499 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -116.2 -14.21 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 63.11 36.5 12.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -124.09 170.95 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 126.09 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.06 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -106.64 107.5 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 m-20 56.43 52.93 7.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.8 148.35 64.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 63' ' ' PHE . 28.4 m -129.99 139.96 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.5 p -87.79 128.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -101.84 177.91 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.16 -26.38 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -81.58 10.04 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 59.99 45.55 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 4.1 m-70 -126.96 162.06 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.942 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -123.75 143.08 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.99 141.89 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.9 m -51.59 129.03 24.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -39.07 -35.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -78.75 -48.6 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.3 m -56.83 -45.92 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -47.62 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.94 -59.62 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -50.48 -49.87 54.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 38.0 t60 -62.35 -38.11 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -39.81 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -56.14 -61.66 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -126.07 117.53 23.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -106.68 175.2 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -69.33 168.73 13.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 22.4 t80 -97.3 -15.31 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 67.1 mt -111.54 -56.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.87 -2.33 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 41.88 51.69 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -104.25 157.62 33.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.15 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.637 2.224 . . . . 0.0 112.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -68.27 -21.84 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.52 38.05 85.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.26 42.84 93.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.94 132.28 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 56.7 m-85 -150.93 118.72 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.1 m120 -108.63 146.35 33.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 116.7 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -90.91 36.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -51.38 -51.61 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.28 -39.58 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.942 HD22 ' CE1' ' A' ' 36' ' ' TYR . 2.1 tp -70.8 -40.76 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 15' ' ' PRO . 89.6 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.74 158.43 57.0 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 9.2 t80 -107.01 -35.47 6.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -134.31 165.32 25.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.9 t -61.28 162.26 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -112.89 -30.84 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 41' ' ' CYS . 95.9 mt -66.68 -32.8 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -120.51 -15.46 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 64.3 36.31 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -123.61 173.26 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.91 123.59 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -46.19 110.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 25' ' ' PHE . 2.8 mm100 -107.81 106.45 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 54.81 53.74 9.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.2 Cg_endo -69.79 143.29 50.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -122.3 140.99 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.8 p -88.37 131.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -106.76 177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.22 -28.57 69.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.9 p -79.05 9.27 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 59.23 42.84 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.3 m-70 -124.15 162.87 22.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.9 m-85 -123.8 147.16 47.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.52 142.13 18.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 m -51.58 130.93 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -41.43 -32.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -81.39 -45.91 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 20' ' ' ILE . 47.4 m -59.78 -48.13 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.51 -47.92 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.08 -59.49 3.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.7 -52.0 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.5 t60 -61.04 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.41 -41.66 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -54.65 -57.98 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -57.93 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 45' ' ' HIS . 1.8 t -115.7 117.33 40.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.575 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 3.14 2.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -112.35 174.28 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.413 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.1 t -67.99 170.21 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.4 t80 -101.44 -21.43 14.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.646 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.8 mt -100.8 -56.43 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.19 -11.56 35.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 11.4 t0 50.52 49.16 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -103.25 156.51 35.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 88.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -68.18 -40.22 82.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.67 34.97 59.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.46 96.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -111.98 135.15 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 83.1 m-85 -157.19 126.08 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -111.36 145.76 33.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.97 3.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.347 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.42 40.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -50.49 -39.69 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.12 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.4 tp -41.81 -45.93 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.497 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 36.8 mmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 15' ' ' PRO . 98.4 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.629 0.728 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.8 157.67 59.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -104.2 -38.46 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -132.38 165.52 24.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 43.2 t -63.56 161.64 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.1 -30.26 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 66.7 mt -66.2 -30.97 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.8 p -122.44 -17.12 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.51 34.44 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.76 172.85 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.48 123.44 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.7 m-85 -44.72 112.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -108.55 106.79 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 53.19 54.13 12.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.561 ' HG3' ' HE3' ' A' ' 70' ' ' MET . 54.1 Cg_endo -69.78 146.61 60.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 m -127.89 141.68 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 30' ' ' VAL . 8.2 p -86.86 130.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -103.22 178.42 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 2.0 mptt -64.31 -26.83 68.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.19 11.97 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 58.26 47.29 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.9 m-70 -129.5 161.63 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.965 ' CE1' HD22 ' A' ' 69' ' ' LEU . 13.6 m-85 -122.49 145.65 48.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.623 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.97 140.49 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.3 m -50.37 128.74 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.26 -29.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' CYS . 14.9 m -84.85 -49.53 8.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 57.8 m -58.13 -35.26 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.11 -55.65 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.94 -47.88 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 4.7 pt-20 -54.43 -45.79 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.488 ' CE1' HG21 ' A' ' 49' ' ' THR . 3.6 t60 -68.88 -44.56 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.2 -42.44 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.49 -59.02 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.76 -60.08 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.8 t -114.03 116.28 44.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.95 2.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -108.03 175.17 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.7 t -69.93 171.0 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -100.13 -22.86 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.673 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mt -101.38 -58.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.45 -6.08 47.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.49 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.4 m-20 44.71 49.04 8.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.07 156.2 36.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 p -61.68 -41.99 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.88 57.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.31 37.92 94.46 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' CG2' ' HZ3' ' A' ' 32' ' ' LYS . 70.8 mt -114.77 124.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -145.38 127.22 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 5.3 m120 -108.01 146.84 34.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.43 3.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 40.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -52.64 -39.13 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.98 -57.64 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.965 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.6 tp -38.77 -45.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.561 ' HE3' ' HG3' ' A' ' 28' ' ' PRO . 33.0 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.615 0.721 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.75 157.69 59.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.24 -38.18 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -127.17 168.01 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 36.2 t -67.74 161.61 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.48 -32.19 6.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 71.2 mt -64.1 -30.26 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 23' ' ' GLN . 17.2 p -123.6 -14.82 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 65.12 33.59 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' HG2' ' SG ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -121.08 176.03 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.28 124.7 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -47.25 112.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -112.34 106.26 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 58.55 51.09 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.79 146.42 59.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 63' ' ' PHE . 18.8 m -126.18 141.61 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 7.8 p -88.61 130.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 p -105.32 177.97 4.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -63.09 -28.21 69.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -78.89 6.47 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 62.11 46.75 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.61 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 4.0 m-70 -128.87 161.61 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 1.048 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -121.53 145.2 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.63 140.36 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.7 m -51.23 128.94 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.35 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' CYS . 47.1 t -85.81 -46.68 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 55.7 m -61.81 -30.15 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.16 -53.61 10.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.78 -43.84 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 12.9 pt-20 -57.14 -49.14 76.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 3.9 t60 -67.3 -38.93 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -54.42 -41.95 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -53.26 -56.48 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 49' ' ' THR . 14.7 t -116.83 116.81 38.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.548 0.69 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -104.04 178.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.4 t -74.69 168.01 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 34.9 t80 -100.03 -15.16 18.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.0 mt -107.56 -57.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -95.65 -5.38 42.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 31.9 t70 45.85 50.46 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -98.63 157.72 33.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 88.51 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.5 p -72.42 -30.1 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.7 38.61 92.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.51 37.04 94.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -110.27 133.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 29' ' ' VAL . 92.1 m-85 -156.83 113.35 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.98 145.78 30.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.77 3.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -89.61 44.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -55.45 -35.64 65.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 69' ' ' LEU . 13.1 pt-20 -64.79 -43.98 91.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.0 tp -54.59 -48.28 72.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.8 mmt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.622 0.725 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.66 -37.05 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -126.64 166.79 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.6 t -67.38 162.28 23.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -111.46 -32.33 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' A' ' 41' ' ' CYS . 84.9 mt -63.51 -36.22 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.8 p -116.84 -16.13 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 65.97 32.22 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -121.2 172.55 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 127.22 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -51.78 111.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -108.13 109.75 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 52.72 53.15 11.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.8 145.19 56.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 29.6 m -125.42 146.17 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 10.8 p -87.57 129.92 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 p -101.29 179.14 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.4 17.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? 53.85 42.64 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.638 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.2 m170 -121.68 158.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 69' ' ' LEU . 18.9 m-85 -116.55 145.57 43.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -154.1 140.52 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.7 m -50.16 128.52 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -38.98 -32.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 -47.6 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.4 m -58.77 -44.41 90.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.76 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.17 -61.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -46.69 -52.41 13.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 6.4 t60 -62.44 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -48.72 -39.49 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -59.69 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.82 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.426 HG21 ' NE2' ' A' ' 45' ' ' HIS . 4.3 t -116.1 117.5 39.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.64 2.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -116.06 176.99 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 10.8 t -69.7 170.3 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.596 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.6 t80 -102.88 -22.71 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.7 mt -97.04 -57.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.7 p -92.9 -13.56 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 36.0 m-20 54.69 47.52 22.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -109.67 155.87 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.68 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.1 p -56.99 -37.0 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.57 20.26 51.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.85 22.57 72.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.529 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.81 134.23 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -146.98 105.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 5.4 m120 -94.43 145.8 30.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.09 3.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.19 38.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.4 -48.42 79.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.661 HD23 ' HE3' ' A' ' 70' ' ' MET . 5.8 tp -48.37 -54.35 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.661 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.0 mmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.76 159.98 51.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -110.13 -37.59 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.15 164.29 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.529 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 38.2 t -61.68 162.44 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.59 -31.91 6.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 82.4 mt -64.75 -34.08 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.9 p -119.43 -14.8 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 64.25 32.17 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.33 172.92 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.52 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.0 m-85 -53.87 109.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -109.1 109.62 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 55.57 51.42 6.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.81 147.36 62.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.724 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.9 m -129.82 141.82 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.42 133.33 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -108.31 177.86 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -59.98 -31.05 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 p -78.73 11.38 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 57.25 41.84 26.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.4 m170 -121.16 160.8 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.768 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -122.05 143.26 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.45 144.84 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' SER . 32.8 m -54.34 127.36 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.8 tt0 -37.22 -32.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' CYS . 16.6 m -81.57 -48.88 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.5 m -57.17 -41.1 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -63.37 -42.71 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.99 -62.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.82 -51.0 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.9 t60 -62.89 -44.9 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -48.47 -43.17 34.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.02 -59.24 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.17 -56.73 9.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.557 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.9 t -117.24 116.63 37.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.4 3.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -111.49 179.13 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -70.73 168.16 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.8 t80 -99.95 -16.12 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.2 mt -106.95 -57.87 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.9 p -95.65 -4.79 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.2 m-20 45.05 50.48 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -101.89 156.81 34.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.55 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' ILE . 64.1 p -66.18 -41.45 90.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.44 31.95 52.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.9 33.06 84.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' THR . 47.9 mt -106.25 135.16 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB3' HG21 ' A' ' 29' ' ' VAL . 62.0 m-85 -157.87 105.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -98.98 145.98 30.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.49 3.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.29 38.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -48.26 -55.37 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -43.71 -44.08 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 36' ' ' TYR . 4.4 tp -64.81 -34.56 78.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 69' ' ' LEU . 92.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.84 158.11 57.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -104.54 -34.97 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.5 162.23 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 51.2 t -61.1 162.0 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.04 -28.87 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 41' ' ' CYS . 43.4 mt -66.68 -35.34 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.6 p -119.37 -11.92 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 61.17 36.44 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -123.18 172.56 8.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.81 125.73 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.6 m-85 -48.24 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -106.04 108.82 20.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 54.36 52.93 9.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.73 147.13 62.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -128.26 141.21 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.32 131.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -103.89 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -66.2 -23.75 66.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -85.6 13.46 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 58.22 42.76 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.2 m-70 -124.37 160.03 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.606 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.1 m-85 -123.41 146.34 48.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.12 146.35 23.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.6 m -55.61 128.96 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.74 -32.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -80.92 -46.26 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' HB3' HD13 ' A' ' 20' ' ' ILE . 53.5 m -59.49 -46.17 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.46 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.99 -56.89 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -51.69 -53.29 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 16.8 t60 -60.51 -40.63 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.81 -40.05 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.72 -53.53 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.428 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.9 t -115.51 118.12 39.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.555 0.693 . . . . 0.0 111.153 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -114.31 171.91 7.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 9.7 t -63.33 171.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 48.1 t80 -101.12 -25.05 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.1 mt -98.62 -57.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.6 p -89.97 -11.76 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.4 m-20 51.17 47.37 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -103.96 157.51 33.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.39 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 76.4 p -77.39 -26.48 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.69 23.02 64.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 36.56 57.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -112.07 127.15 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -148.48 122.12 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -105.21 146.47 32.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.62 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -53.18 -41.96 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 35.5 mt-10 -58.71 -61.48 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 14' ' ' ILE . 9.4 tp -34.68 -51.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.623 ' HE2' HD23 ' A' ' 69' ' ' LEU . 39.4 mmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.63 0.729 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.56 59.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -102.56 -37.37 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.2 ptt85 -131.64 169.85 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t -67.59 162.17 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.95 -30.65 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 41' ' ' CYS . 48.4 mt -64.42 -38.96 83.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -115.28 -16.75 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mmm-85 66.72 37.36 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -126.35 171.43 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.03 131.26 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.5 m-85 -55.64 110.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.6 103.53 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 60.27 52.46 3.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.79 144.18 53.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 15.3 m -123.13 141.08 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.1 p -87.93 137.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -112.29 178.27 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.22 -30.08 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.63 10.98 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 58.07 49.54 11.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 3.5 m-70 -129.6 160.0 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -122.3 146.72 47.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.88 144.09 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.2 m -53.74 128.24 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -38.85 -32.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -81.41 -46.24 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' HD13 ' A' ' 20' ' ' ILE . 52.4 m -59.89 -46.26 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.634 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.93 -48.81 78.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.26 -60.36 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.51 -55.35 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 41.0 t60 -60.32 -38.11 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -55.67 -42.53 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -54.85 -57.93 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.85 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 49' ' ' THR . 5.5 t -130.87 116.89 17.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.144 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -115.64 165.09 13.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.9 t -58.69 168.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 13.1 t80 -100.18 -17.39 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.7 mt -105.93 -58.24 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 57' ' ' GLN . 29.5 p -94.38 -6.11 44.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-20 48.04 46.2 19.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 55' ' ' CYS . 5.8 mt-30 -87.72 156.73 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.4 p -74.26 -42.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.21 34.03 66.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.75 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -110.62 132.75 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 88.7 m-85 -156.8 121.16 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -103.69 145.77 31.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.9 5.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.82 41.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -51.23 -43.05 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.13 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -37.82 -55.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.512 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.9 mmt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.642 0.734 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.67 62.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -103.6 -38.32 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -129.88 160.86 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.5 t -60.13 161.14 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.671 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.59 -29.66 7.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.586 HG12 ' CD2' ' A' ' 53' ' ' TYR . 58.5 mt -66.34 -33.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.497 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 11.6 p -119.87 -14.64 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 64.81 29.0 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -117.85 168.8 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.91 130.77 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -52.93 112.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -109.89 105.67 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 55.93 53.11 7.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.82 143.63 51.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -122.66 141.12 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -88.23 129.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -104.33 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -63.07 -28.24 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -79.84 10.97 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 58.42 43.16 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 51.6 m170 -124.5 162.99 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.66 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.6 m-85 -124.48 146.61 48.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -154.86 143.29 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.57 129.5 29.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -40.2 -33.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -80.57 -47.97 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.8 m -57.75 -47.85 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.15 73.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.29 -56.83 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -50.34 -55.24 16.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -56.54 -38.95 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -60.38 -36.87 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -48.35 -55.79 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.62 -63.27 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 49' ' ' THR . 13.2 t -111.21 117.14 50.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.15 3.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -100.13 178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.9 t -73.42 169.36 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 20' ' ' ILE . 25.4 t80 -100.97 -18.27 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.671 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.7 mt -104.21 -56.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.56 -7.82 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.5 t70 46.43 51.19 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -98.99 157.33 34.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.39 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 62' ' ' ILE . 44.5 p -66.81 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.15 35.96 71.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.52 36.05 92.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 59' ' ' THR . 68.2 mt -109.57 134.04 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -154.16 117.85 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.62 146.08 31.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 109.9 2.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -87.4 40.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -48.89 -50.45 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -48.36 -57.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD22 ' CD1' ' A' ' 36' ' ' TYR . 9.2 tp -41.09 -55.76 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.552 ' HE2' HD23 ' A' ' 69' ' ' LEU . 35.9 mmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -112.54 83.75 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 p -153.26 137.47 16.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 108.21 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -106.39 161.56 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -143.65 153.54 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 -178.41 37.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.55 -161.3 13.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' CB ' ' OE1' ' A' ' 10' ' ' GLU . 39.9 m -80.31 -53.57 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -150.46 137.34 19.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -52.01 102.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.44 89.5 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -82.2 40.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.7 mt -95.4 134.57 24.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 14' ' ' ILE . 54.0 Cg_endo -69.74 162.16 43.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -110.57 -36.46 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -132.7 164.38 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.6 t -61.12 161.01 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -112.55 -28.58 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 41' ' ' CYS . 86.4 mt -67.82 -35.17 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.0 p -118.29 -14.19 9.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 64.7 35.06 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.69 174.9 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.69 127.94 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.9 m-85 -51.49 111.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -109.99 102.13 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.4 m-20 61.09 52.55 2.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.78 142.68 48.49 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.76 139.06 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.627 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.9 p -88.01 133.81 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -109.11 178.13 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 p -81.36 12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 56.09 46.59 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.9 m170 -128.14 160.0 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.8 m-85 -123.05 147.53 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.79 141.16 18.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.6 m -50.48 128.64 20.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -39.69 -31.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.55 -43.24 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' CYS . 51.2 m -63.51 -43.62 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.94 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.48 -51.39 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.91 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 31.0 t60 -58.5 -45.24 89.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -51.72 -41.9 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -54.08 -57.74 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -55.77 13.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' THR . 10.2 t -120.4 121.65 29.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.95 13.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.97 179.78 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -75.46 169.13 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -98.28 -15.63 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 59.4 mt -109.56 -55.09 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.0 p -93.52 -8.54 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 29.7 m-20 45.41 50.04 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -104.58 157.98 32.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.9 p -63.28 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 35.99 63.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.59 37.2 93.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.2 mt -111.91 136.81 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -156.71 128.87 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.6 m-80 -112.22 145.83 33.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -88.7 36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -52.75 -38.06 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.22 -39.18 85.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.9 tp -60.4 -46.59 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.747 ' HA ' HD12 ' A' ' 73' ' ' LEU . 38.9 mmt -62.66 -43.91 97.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.75 -57.21 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -44.61 -48.32 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 70' ' ' MET . 23.6 mt -50.47 -54.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -48.22 159.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.5 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 t -42.91 -70.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.32 -100.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.72 48.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -120.46 89.69 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 t -121.94 80.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.488 -179.995 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -161.39 159.87 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -148.48 153.17 38.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.82 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -115.79 80.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 p -108.71 165.93 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.73 90.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.87 42.06 0.42 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -51.63 148.39 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.05 131.94 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.9 49.65 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -140.56 118.47 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.62 28.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -95.52 131.34 29.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.04 58.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -106.59 -38.17 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -129.26 164.72 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -62.05 162.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.91 -29.98 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 41' ' ' CYS . 85.3 mt -66.72 -34.38 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.5 p -118.89 -14.47 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 64.86 29.32 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -118.19 173.53 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.551 ' HB3' HE22 ' A' ' 26' ' ' GLN . . . -54.41 136.18 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.2 m-85 -59.92 113.83 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.551 HE22 ' HB3' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -111.79 99.49 8.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 62.94 52.64 1.68 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.7 142.38 48.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.736 2.29 . . . . 0.0 112.369 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 m -121.33 141.84 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 64' ' ' ASN . 7.2 p -88.06 130.91 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -104.75 178.16 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -63.27 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.2 p -80.21 12.35 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 57.06 47.36 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.6 m170 -128.34 161.82 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 1.068 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -123.27 145.56 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.46 142.95 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 m -52.1 129.88 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -39.88 -34.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -79.42 -45.77 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.6 m -60.51 -44.9 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -50.51 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.38 -60.2 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -47.61 -52.72 16.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t60 -62.24 -44.81 95.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -50.47 -40.95 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -53.38 -56.79 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 49' ' ' THR . 11.3 t -109.37 117.53 52.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.57 2.7 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -113.24 177.13 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.48 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.7 t -69.67 169.17 13.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 7.9 t80 -100.36 -18.06 16.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 50.9 mt -104.77 -58.55 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.01 -5.45 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 9.2 m-20 45.58 50.67 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -96.17 158.68 33.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -72.09 -41.77 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.77 35.08 89.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.63 91.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.71 137.24 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.547 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 93.7 m-85 -156.08 124.31 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 30' ' ' VAL . 7.7 m120 -105.16 145.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 127.61 14.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -109.43 43.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -68.43 -48.0 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.068 HD22 ' CE1' ' A' ' 36' ' ' TYR . 8.7 tp -51.91 -45.35 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.1 mmt -62.91 -53.26 56.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.2 -44.15 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -59.17 -55.99 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.1 mt -52.1 -52.93 48.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.67 158.41 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.97 89.34 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.8 m -83.8 -54.56 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.97 -155.16 16.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 113.73 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -51.4 163.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.7 m -120.74 153.9 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.527 179.95 . . . . . . . . 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 -0.343 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -83.87 117.03 23.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -50.14 -52.1 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.98 -150.0 20.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -125.37 80.41 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -118.56 159.98 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.36 151.98 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.39 112.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -122.64 126.74 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -116.63 18.34 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 42.12 52.65 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -122.33 81.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' ILE . 28.6 tt0 -68.98 -33.29 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 15' ' ' PRO . 71.9 mt -36.47 134.95 0.59 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.72 157.06 61.78 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -103.16 -38.8 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -132.3 163.77 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.4 t -60.44 162.23 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -112.13 -30.22 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' CYS . 87.1 mt -65.98 -37.46 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -116.5 -14.4 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 63.87 35.09 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.74 171.34 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.2 129.13 27.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.0 m-85 -51.71 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -108.03 111.08 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.7 m-20 52.49 52.18 10.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.76 148.95 66.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.3 m -131.01 142.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.19 135.0 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 p -108.24 178.05 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -64.14 -27.45 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.72 11.58 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 58.75 44.96 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.3 m170 -125.93 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.777 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -124.7 145.08 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.5 143.85 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 m -53.16 129.5 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.59 -35.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -78.99 -46.09 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.578 ' HB3' HD12 ' A' ' 20' ' ' ILE . 52.9 m -59.7 -43.72 93.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.99 -52.67 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.78 -56.76 11.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -50.45 -51.96 42.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 27.5 t60 -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -59.26 -38.47 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -57.21 -56.76 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.26 -57.16 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.9 t -116.93 118.24 36.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.15 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.74 2.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -110.54 176.78 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -71.04 170.49 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 t80 -99.82 -21.56 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 58.9 mt -102.12 -58.15 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -90.87 -9.76 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.9 m-20 48.22 49.29 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -102.92 156.53 35.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -67.37 -41.19 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.54 33.92 46.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.2 40.66 99.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.47 129.9 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.531 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 85.5 m-85 -151.02 114.77 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -99.79 146.07 31.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.65 5.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.38 41.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -49.91 -46.36 51.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.5 tp -46.58 -50.91 16.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.427 ' HE2' ' HG ' ' A' ' 69' ' ' LEU . 34.9 mmt -65.39 -44.0 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.66 -47.58 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -63.53 -46.35 86.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' MET . 19.1 mt -58.7 -58.3 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.946 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.38 120.26 31.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -49.32 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.8 t -112.33 109.52 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.4 -84.7 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 90.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.315 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -56.96 -24.76 55.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.1 t -84.9 82.55 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.502 -179.993 . . . . . . . . 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 -0.368 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -142.59 142.67 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -165.8 170.79 13.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.3 153.38 21.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.41 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -170.03 140.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -108.26 168.0 9.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.99 149.41 21.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.435 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.21 129.35 4.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -130.65 102.45 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -96.4 175.99 6.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.26 111.05 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -130.0 94.36 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' ILE . 51.8 mm-40 -86.14 -28.58 23.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt -36.92 136.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.8 158.0 58.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -105.3 -35.68 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.3 ptt-85 -131.55 165.7 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.6 t -64.25 161.48 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -112.4 -29.41 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 53' ' ' TYR . 74.7 mt -66.55 -31.76 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 17.7 p -122.94 -13.59 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 26.6 mmt180 62.76 36.77 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.5 mm-40 -124.64 169.94 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 125.56 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -49.76 109.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.71 108.23 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 55.19 52.67 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.4 Cg_endo -69.79 148.36 64.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -127.43 140.21 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.05 132.52 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.7 p -106.44 178.3 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 p -82.65 13.2 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.78 45.63 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.7 m170 -126.84 160.74 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 69' ' ' LEU . 8.6 m-85 -122.65 147.67 46.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.92 142.75 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 m -53.83 129.39 33.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -40.76 -31.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -81.74 -46.76 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 m -58.86 -48.07 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.11 -49.33 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -68.06 -60.99 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.28 -53.28 22.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.59 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 29.2 t60 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -50.07 -48.26 53.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -47.58 -51.24 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -53.87 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 49' ' ' THR . 9.7 t -120.14 117.56 31.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.712 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.89 3.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -116.62 173.97 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.4 t -63.11 170.4 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 45.2 t80 -101.8 -23.9 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.5 mt -98.63 -56.67 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.9 p -92.24 -10.93 36.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 48.99 49.78 18.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -102.29 157.65 33.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 88.48 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.5 p -67.45 -37.91 83.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.13 32.7 65.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.33 35.58 91.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.531 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.92 128.7 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -152.64 122.98 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -108.89 145.98 32.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 114.25 3.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.96 39.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -49.55 -39.59 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' LEU . 6.9 mp0 -58.75 -57.99 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.9 tp -37.0 -50.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.402 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 39.1 mmt -60.12 -47.46 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.44 -36.79 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -67.55 -48.68 66.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.57 -50.37 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -167.78 127.1 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -55.89 107.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 m -52.23 115.01 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.38 153.62 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -91.48 -58.33 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -171.64 140.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.514 179.983 . . . . . . . . 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 -0.312 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -62.49 91.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -138.93 160.39 39.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.7 162.85 35.09 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -107.6 108.56 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -104.25 97.68 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.46 -165.97 13.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.46 41.44 96.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -56.78 -56.32 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -107.5 133.6 51.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -95.23 120.38 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -69.34 101.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.22 35.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.6 mt -96.74 133.12 24.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.4 Cg_endo -69.78 157.56 59.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -103.74 -39.23 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -132.0 163.43 28.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.2 t -61.66 162.11 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.92 -29.6 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 58.1 mt -66.38 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.4 p -119.38 -13.43 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 63.14 33.37 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -120.74 174.8 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.46 125.95 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.9 m-85 -48.19 112.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.56 106.6 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 m-20 56.06 52.46 7.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.77 143.24 50.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 m -122.32 142.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.58 131.7 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -105.34 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -63.37 -27.96 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.22 10.93 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 58.93 42.82 18.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.3 m170 -123.74 163.56 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.946 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -125.5 147.02 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.46 142.31 19.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 m -50.5 131.7 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -41.34 -35.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 t -79.05 -46.99 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -58.43 -48.44 80.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.85 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -59.82 -56.46 21.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.95 -57.1 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.617 ' NE2' HG21 ' A' ' 49' ' ' THR . 12.0 t60 -55.46 -45.32 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -50.16 -44.21 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -53.03 -55.87 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.83 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.617 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.7 t -109.68 116.68 53.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.92 3.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -116.14 172.23 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.8 t -65.49 170.18 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 54.7 t80 -101.42 -22.65 14.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.1 mt -100.43 -55.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.03 -11.48 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 m-20 49.41 48.81 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -103.42 156.83 34.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.2 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -67.91 -41.25 82.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.2 35.03 54.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.36 41.14 99.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.97 128.54 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -151.77 124.79 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -109.33 145.95 32.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.86 41.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -46.18 -42.76 14.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' LEU . 69.5 mm-40 -56.2 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' CE1' ' A' ' 36' ' ' TYR . 55.4 tp -35.1 -51.1 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.641 ' HE1' ' HG ' ' A' ' 69' ' ' LEU . 32.4 mmt -64.9 -49.49 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.26 -41.17 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -62.94 -47.28 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLN . 40.0 mt -56.42 -58.24 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' LEU . 15.8 tt0 -37.74 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -175.23 141.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -72.66 159.33 34.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.18 70.91 1.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 144.7 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -81.23 80.63 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.1 176.62 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.502 -179.939 . . . . . . . . 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 -0.309 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p 38.35 41.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 122.35 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.03 92.44 0.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -114.31 170.16 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -146.5 150.36 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.84 178.16 24.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.72 165.85 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -105.98 135.0 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.48 110.15 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.18 27.67 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.8 tt0 -112.02 41.04 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tp10 -35.05 -34.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 15' ' ' PRO . 73.0 mt -37.44 135.91 0.7 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.77 153.69 68.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -101.27 -38.27 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -131.63 163.31 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.5 t -61.34 161.47 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.52 -29.22 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 65.0 mt -66.97 -36.44 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.3 p -117.07 -14.22 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 64.33 32.51 12.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -119.87 175.44 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 126.38 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.36 110.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -109.16 102.14 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 4.7 m-20 61.34 52.54 2.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.3 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 63' ' ' PHE . 20.4 m -125.54 141.75 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.78 134.49 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -109.71 178.2 4.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -62.9 -27.71 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 57' ' ' GLN . 6.0 p -81.98 12.83 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 56.59 44.47 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 49.8 m170 -124.24 161.51 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.631 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -124.79 143.55 50.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.51 143.61 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.0 m -51.62 129.7 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -39.13 -34.77 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.2 t -79.55 -45.27 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -60.51 -45.42 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.14 -52.26 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.07 -57.79 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -48.45 -53.62 17.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 15.0 t60 -61.47 -40.1 93.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.3 -40.61 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -54.28 -54.85 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 49' ' ' THR . 6.3 t -112.4 117.24 47.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.555 0.693 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.23 2.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -111.52 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.465 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -69.73 169.97 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.5 t80 -100.75 -18.37 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.5 mt -104.77 -58.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.07 -6.56 44.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 5.2 m-20 48.67 49.07 19.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -98.3 153.2 38.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 86.32 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 p -66.71 -35.8 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.7 37.7 89.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.51 40.38 99.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.5 mt -115.69 128.05 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 63.8 m-85 -152.42 120.82 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -105.92 146.03 32.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.47 5.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.88 40.06 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -45.07 -46.88 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 10.1 tp10 -53.02 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD22 ' CE1' ' A' ' 36' ' ' TYR . 17.4 tp -34.35 -49.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 37.5 mmt -64.25 -46.09 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -53.44 -39.11 64.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -63.61 -51.72 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -45.33 -44.59 11.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -125.82 115.46 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -2.66 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.5 p -106.1 178.91 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.26 139.59 2.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.23 4.61 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.0 m -92.25 80.44 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.2 m -122.32 40.7 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.486 179.987 . . . . . . . . 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 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -126.99 102.58 7.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -85.67 -59.71 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 145.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -150.79 143.36 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -157.23 142.25 16.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.88 -90.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 137.84 14.53 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -111.72 129.53 56.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' A' ' 10' ' ' GLU . 24.9 pm0 -119.33 138.07 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -134.29 46.46 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -158.17 111.99 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' ILE . 11.4 pt-20 -69.45 -33.72 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' GLU . 97.3 mt -34.12 130.35 0.43 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.91 32.78 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -109.13 -37.04 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -135.73 163.52 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.4 t -60.48 162.23 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.05 -30.48 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 72.2 mt -66.04 -35.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.6 p -117.56 -15.77 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 65.02 34.22 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.24 172.73 8.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.3 126.9 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 7.9 m-85 -49.86 112.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.28 103.95 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 58.09 52.97 5.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.7 Cg_endo -69.74 146.18 59.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.0 m -124.74 140.52 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -88.44 134.85 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 p -110.88 177.62 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 62' ' ' ILE . 30.0 mtmt -61.33 -28.4 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -80.87 12.84 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? 55.42 44.94 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -125.08 161.04 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.945 ' CE1' HD22 ' A' ' 69' ' ' LEU . 12.1 m-85 -123.25 146.92 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.65 142.91 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.05 128.93 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -38.66 -34.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 t -79.46 -46.29 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -59.74 -47.8 84.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.76 -48.27 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.64 -58.45 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.28 -50.93 48.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t60 -60.23 -41.39 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -54.34 -41.4 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -54.38 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -57.46 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.451 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.6 t -117.64 117.58 35.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.187 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -112.35 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -67.19 170.36 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.4 t80 -100.74 -21.89 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.9 mt -100.63 -58.78 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.3 p -91.41 -9.81 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 23.8 m-20 49.59 49.6 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -101.87 156.65 34.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 89.42 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -69.38 -33.57 73.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.54 92.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.55 39.13 96.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 ' HE2' ' A' ' 32' ' ' LYS . 84.2 mt -113.39 135.47 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' HG21 ' A' ' 29' ' ' VAL . 76.6 m-85 -157.16 114.71 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -97.27 145.88 30.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.19 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.43 42.18 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -51.52 -46.59 63.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.14 -56.22 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.945 HD22 ' CE1' ' A' ' 36' ' ' TYR . 23.9 tp -39.11 -54.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.603 ' HE2' HD12 ' A' ' 73' ' ' LEU . 35.2 mmt -63.08 -46.98 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.68 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -76.75 -46.54 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.603 HD12 ' HE2' ' A' ' 70' ' ' MET . 59.5 mt -52.76 -57.73 9.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -111.97 160.38 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -136.07 158.97 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.8 t 59.2 41.98 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.1 -176.98 49.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.53 68.29 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -109.16 169.0 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 p -66.0 167.2 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.491 -179.997 . . . . . . . . 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 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -131.43 157.13 44.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -89.54 141.94 28.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.85 103.43 0.33 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -125.78 124.87 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -68.98 135.09 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.18 129.65 9.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.67 100.35 1.96 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -74.07 106.79 5.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -100.72 125.9 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -84.46 102.51 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -138.82 105.09 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 2.7 pp20? -67.77 -41.06 83.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.3 mt -34.57 137.36 0.36 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.8 162.15 43.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -105.95 -37.14 6.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -135.72 161.51 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -57.98 161.82 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.84 -30.42 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.529 HG12 ' CD2' ' A' ' 53' ' ' TYR . 69.1 mt -65.49 -36.98 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 14.1 p -116.76 -14.56 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 64.19 35.13 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -122.34 175.22 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.22 126.24 26.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.9 m-85 -49.39 111.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -109.44 105.65 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 57.05 52.8 6.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.82 141.4 44.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.0 m -120.52 141.91 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.44 134.88 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 p -109.46 178.05 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -63.16 -27.74 69.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -82.26 14.84 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 54.67 45.58 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.2 m170 -125.6 162.45 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -125.51 146.67 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.64 142.11 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 m -51.1 129.32 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -38.88 -33.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.7 t -81.22 -44.63 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -61.52 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.91 -48.34 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.67 -57.87 5.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.22 -49.1 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.6 t60 -67.33 -33.88 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.26 -45.38 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -52.61 -57.0 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -54.17 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -123.52 118.64 27.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -106.94 175.55 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.2 t -71.18 169.64 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 60.7 t80 -98.7 -19.59 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.1 mt -105.42 -58.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.38 -4.0 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 p-10 42.53 49.13 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.83 158.43 34.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 85.12 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' ILE . 63.2 p -67.72 -40.12 84.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.27 37.95 87.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 41.33 99.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 59' ' ' THR . 69.6 mt -114.43 129.59 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.437 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 69.2 m-85 -153.65 122.06 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.92 145.87 31.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.95 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.77 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -52.35 -40.13 61.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.93 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD23 ' HE3' ' A' ' 70' ' ' MET . 7.3 tp -49.11 -50.16 38.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.729 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.2 mmt -62.97 -44.75 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.83 -44.56 19.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -63.58 -49.66 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD12 ' HE2' ' A' ' 70' ' ' MET . 82.3 mt -51.63 -53.01 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -67.4 172.0 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -96.52 -48.16 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -104.2 -60.07 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.81 -176.76 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.0 34.46 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.3 t -67.93 141.52 56.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -165.99 157.49 13.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.504 -179.972 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -108.75 127.17 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -102.59 85.81 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.5 -77.29 1.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -120.65 111.42 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -59.58 -43.26 93.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.15 44.03 10.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.64 121.24 12.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.8 p -113.67 169.24 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -108.19 82.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 39.15 46.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.68 79.78 8.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 14' ' ' ILE . 13.6 tp10 -61.69 -38.69 88.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 ' HD2' ' A' ' 15' ' ' PRO . 87.2 mt -33.27 133.7 0.32 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.82 158.9 55.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.61 -38.2 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.4 160.95 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.0 t -58.24 161.57 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.93 -29.08 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 53.7 mt -66.82 -36.22 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.5 p -117.58 -14.92 10.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.98 35.81 7.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -123.2 174.38 7.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.05 128.53 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.1 m-85 -50.46 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -106.79 107.28 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.5 m-20 55.9 52.88 7.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.2 Cg_endo -69.78 141.69 45.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.266 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 30.8 m -121.14 141.47 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -87.71 132.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.6 p -105.79 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -63.54 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 p -80.67 13.85 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 56.73 44.74 23.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.615 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -124.47 161.74 25.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.919 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.2 m-85 -124.29 145.69 49.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.77 144.95 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.2 m -52.71 130.43 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -40.96 -33.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -80.57 -45.76 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -60.03 -47.44 85.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.03 -47.77 80.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.83 -60.84 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.46 -55.67 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.1 t60 -58.58 -40.98 84.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.51 -42.93 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -53.71 -54.44 37.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.74 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.02 117.79 43.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.386 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -115.77 175.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.3 t -66.47 171.62 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 36.1 t80 -101.78 -24.14 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 63.0 mt -99.79 -56.9 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -92.15 -9.36 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 34.9 t70 50.16 46.06 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.39 154.88 37.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 93.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.9 p -74.6 -23.36 58.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.86 33.94 64.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.09 40.28 95.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.2 mt -112.84 129.54 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 77.4 m-85 -150.77 118.62 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -106.08 145.85 31.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.19 3.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -91.5 39.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -41.29 23.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.0 -53.72 55.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.919 HD22 ' CD1' ' A' ' 36' ' ' TYR . 15.5 tp -45.45 -46.19 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt -67.55 -47.93 68.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 -38.39 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -64.12 -51.58 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -54.38 -54.75 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -87.77 117.18 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -44.37 132.18 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 t -105.29 -61.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.92 -158.35 14.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.77 33.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 t 62.82 44.28 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t -56.03 -46.58 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.471 -179.984 . . . . . . . . 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 -0.338 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -137.67 120.7 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -150.94 143.36 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.08 -110.94 3.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -78.68 163.38 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.801 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -145.09 147.37 32.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.39 58.07 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.19 -175.46 16.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 73.68 53.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.2 130.22 47.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -104.3 38.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -103.93 76.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -104.36 42.38 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.523 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.4 mt -90.61 134.81 30.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.652 0.739 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.7 Cg_endo -69.83 162.76 40.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.64 -35.69 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -135.29 162.69 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.2 t -60.44 162.07 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -112.87 -29.26 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.459 HD13 ' HB3' ' A' ' 41' ' ' CYS . 42.2 mt -67.39 -33.49 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.3 p -120.45 -11.64 9.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 61.67 32.88 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.62 172.64 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 132.28 42.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -54.69 110.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.73 107.45 17.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 56.66 51.81 5.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 54.1 Cg_endo -69.69 144.82 55.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.1 m -125.04 141.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' VAL . 8.1 p -88.23 130.65 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 p -104.68 178.42 4.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -64.05 -27.22 68.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 p -81.77 13.06 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 56.81 45.08 22.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.3 m170 -125.82 161.59 27.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.765 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.5 m-85 -124.63 144.73 50.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -152.99 143.77 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.0 m -52.43 129.24 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.22 -32.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.3 m -81.37 -46.92 13.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.459 ' HB3' HD13 ' A' ' 20' ' ' ILE . 54.9 m -59.23 -44.54 92.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.95 -50.27 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.78 -55.39 17.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -52.52 -52.4 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.3 t60 -62.62 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.46 -41.08 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -55.89 -62.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.93 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.7 t -116.2 117.83 38.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -114.2 176.07 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -67.23 170.37 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.2 t80 -101.23 -21.44 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.675 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.5 mt -101.64 -56.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -91.38 -11.49 37.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 50.78 47.63 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -102.17 156.63 35.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.685 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 90.97 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -68.17 -40.09 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.88 35.97 61.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.85 39.44 97.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.5 mt -116.16 126.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 87.4 m-85 -148.06 115.68 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -98.21 145.81 30.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.02 10.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.59 40.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -52.67 -42.49 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.97 -49.77 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.765 HD22 ' CE1' ' A' ' 36' ' ' TYR . 6.9 tp -45.81 -46.61 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 32.1 mmt -65.38 -41.13 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.64 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -60.2 -52.18 66.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.84 -43.24 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -163.03 148.17 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.3 114.02 13.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 m -96.5 113.8 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 78' ' ' PRO . . . -95.14 112.45 4.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 77' ' ' GLY . 54.2 Cg_endo -69.76 -1.88 9.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.3 m -71.19 104.75 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.8 m -84.17 -58.75 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.484 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 59.7 p 36.57 41.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -95.85 42.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.6 152.05 22.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -134.08 147.62 50.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -98.51 120.19 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.06 -161.94 10.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.35 42.19 6.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -59.14 90.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.61 127.35 33.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -129.78 82.58 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.93 82.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.87 -35.67 79.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -39.58 127.9 1.45 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 158.35 57.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -105.26 -38.06 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -127.97 166.48 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -65.98 162.02 20.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.73 -30.72 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 81.0 mt -65.1 -36.54 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.9 p -116.96 -14.7 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 64.7 32.68 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -120.99 173.7 7.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 126.35 25.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.1 m-85 -50.01 112.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -110.18 106.14 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.6 m-20 56.59 52.73 6.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.73 143.89 52.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.751 2.301 . . . . 0.0 112.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 m -122.05 141.49 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.2 p -88.5 128.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -102.88 177.74 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.46 -27.76 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.1 p -80.55 11.22 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 58.06 43.48 20.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.1 m170 -124.78 160.7 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 1.032 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.7 m-85 -121.66 146.51 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.32 142.78 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 m -52.69 128.8 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -39.03 -34.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -79.37 -46.12 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -59.86 -45.86 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.72 -43.89 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.52 -52.46 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.6 t60 -60.38 -47.99 83.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.08 -40.73 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.83 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' THR . 9.7 t -114.06 116.93 44.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.61 2.67 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.62 2.213 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -114.68 174.73 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -66.2 170.1 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.1 t80 -100.69 -22.67 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.3 mt -101.18 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.21 -10.34 42.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 t70 48.35 49.03 18.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -104.43 157.07 34.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.26 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -70.59 -31.11 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.31 38.8 97.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.72 39.0 96.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.41 130.65 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 89.1 m-85 -152.31 110.13 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' HB2' HG13 ' A' ' 30' ' ' VAL . 2.3 m120 -95.78 145.88 30.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 123.93 10.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -105.33 40.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.046 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.9 -40.07 55.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.98 -57.58 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.032 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.1 tp -39.2 -45.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.416 ' HE2' ' HG ' ' A' ' 69' ' ' LEU . 36.1 mmt -65.01 -52.17 57.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' MET . . . -36.7 -42.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -63.17 -59.4 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.71 -53.6 45.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -136.15 137.34 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 100.95 13.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.3 m -56.25 -45.89 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.24 176.17 14.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -34.11 15.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -41.84 115.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -78.78 143.45 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.459 -179.97 . . . . . . . . 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 -0.352 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -140.95 138.76 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.935 0.398 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -90.68 155.4 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.21 151.31 23.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -94.55 156.31 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -161.68 153.98 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.1 1.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.57 117.47 2.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -113.25 83.54 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -161.59 145.91 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.47 147.49 50.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.9 pm0 -120.11 103.68 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ILE . 8.2 mt-10 -51.39 -39.97 58.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.0 mt -36.35 135.6 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.75 159.69 52.49 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -107.62 -37.67 6.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -133.6 162.9 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -58.68 162.11 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.99 -30.36 7.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.515 HG12 ' CG ' ' A' ' 53' ' ' TYR . 53.1 mt -65.93 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.499 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -116.2 -14.21 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 63.11 36.5 12.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -124.09 170.95 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 126.09 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.06 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -106.64 107.5 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 m-20 56.43 52.93 7.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.8 148.35 64.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 63' ' ' PHE . 28.4 m -129.99 139.96 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.5 p -87.79 128.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -101.84 177.91 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.16 -26.38 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -81.58 10.04 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 59.99 45.55 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 60.3 m170 -126.96 162.06 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.942 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -123.75 143.08 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.99 141.89 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.9 m -51.59 129.03 24.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -39.07 -35.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -78.75 -48.6 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.3 m -56.83 -45.92 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -47.62 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.94 -59.62 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -50.48 -49.87 54.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 38.0 t60 -62.35 -38.11 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -39.81 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -56.14 -61.66 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -126.07 117.53 23.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -106.68 175.2 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -69.33 168.73 13.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 22.4 t80 -97.3 -15.31 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 67.1 mt -111.54 -56.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.87 -2.33 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 41.88 51.69 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -104.25 157.62 33.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.15 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.637 2.224 . . . . 0.0 112.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -68.27 -21.84 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.52 38.05 85.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.26 42.84 93.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.94 132.28 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 56.7 m-85 -150.93 118.72 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.1 m120 -108.63 146.35 33.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 116.7 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -90.91 36.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -51.38 -51.61 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.28 -39.58 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.942 HD22 ' CE1' ' A' ' 36' ' ' TYR . 2.1 tp -70.8 -40.76 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -60.96 -34.73 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.02 -43.06 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -66.35 -59.55 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 ' HE3' ' A' ' 70' ' ' MET . 76.6 mt -52.49 -57.85 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -112.11 143.97 42.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -114.79 178.67 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.2 t -148.55 152.52 36.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.05 119.12 5.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 84.3 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.5 t -171.29 126.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.5 m -85.78 -59.46 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.51 -179.992 . . . . . . . . 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 -0.326 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -154.57 141.09 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -147.19 148.98 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 141.83 15.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -101.69 42.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -131.05 169.0 16.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.71 63.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.25 138.82 3.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -122.76 84.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -127.33 98.04 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.05 155.45 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -172.78 109.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -86.39 25.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 15' ' ' PRO . 89.6 mt -92.78 136.68 24.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.74 158.43 57.0 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 9.2 t80 -107.01 -35.47 6.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -134.31 165.32 25.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.9 t -61.28 162.26 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -112.89 -30.84 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 41' ' ' CYS . 95.9 mt -66.68 -32.8 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -120.51 -15.46 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 64.3 36.31 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -123.61 173.26 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.91 123.59 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -46.19 110.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 25' ' ' PHE . 2.8 mm100 -107.81 106.45 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 54.81 53.74 9.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.2 Cg_endo -69.79 143.29 50.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -122.3 140.99 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.8 p -88.37 131.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -106.76 177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.22 -28.57 69.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.9 p -79.05 9.27 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 59.23 42.84 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.1 m170 -124.15 162.87 22.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.9 m-85 -123.8 147.16 47.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.52 142.13 18.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 m -51.58 130.93 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -41.43 -32.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -81.39 -45.91 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 20' ' ' ILE . 47.4 m -59.78 -48.13 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.51 -47.92 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.08 -59.49 3.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.7 -52.0 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.5 t60 -61.04 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.41 -41.66 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -54.65 -57.98 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -57.93 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 45' ' ' HIS . 1.8 t -115.7 117.33 40.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.575 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 3.14 2.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -112.35 174.28 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.413 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.1 t -67.99 170.21 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.4 t80 -101.44 -21.43 14.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.646 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.8 mt -100.8 -56.43 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.19 -11.56 35.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 11.4 t0 50.52 49.16 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -103.25 156.51 35.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 88.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -68.18 -40.22 82.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.67 34.97 59.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.46 96.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -111.98 135.15 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 83.1 m-85 -157.19 126.08 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -111.36 145.76 33.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.97 3.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.347 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.42 40.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -50.49 -39.69 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.12 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.4 tp -41.81 -45.93 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.592 ' HA ' HD12 ' A' ' 73' ' ' LEU . 36.8 mmt -61.12 -41.86 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -39.56 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.7 mt -53.71 -56.86 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -144.37 105.78 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -53.77 -26.31 23.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 4.0 t -113.86 100.88 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.56 -179.95 36.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.8 Cg_endo -69.74 118.32 5.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' PRO . 20.6 m -37.7 145.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.4 p -70.14 116.13 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.518 179.994 . . . . . . . . 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 -0.337 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -80.15 141.51 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -124.04 133.62 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.7 -170.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -160.85 150.33 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -113.8 91.62 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -92.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.93 167.42 39.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -168.77 169.52 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 48.47 41.06 16.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 12' ' ' GLU . 10.8 pt-20 -70.89 168.47 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -109.49 88.83 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ILE . 12.3 pt-20 -50.78 -41.95 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 15' ' ' PRO . 98.4 mt -35.35 133.69 0.48 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.8 157.67 59.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -104.2 -38.46 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -132.38 165.52 24.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 43.2 t -63.56 161.64 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.1 -30.26 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 66.7 mt -66.2 -30.97 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.8 p -122.44 -17.12 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.51 34.44 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.76 172.85 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.48 123.44 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.7 m-85 -44.72 112.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -108.55 106.79 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 53.19 54.13 12.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 54.1 Cg_endo -69.78 146.61 60.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 m -127.89 141.68 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 30' ' ' VAL . 8.2 p -86.86 130.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -103.22 178.42 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 2.0 mptt -64.31 -26.83 68.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.19 11.97 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 58.26 47.29 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.9 m170 -129.5 161.63 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.965 ' CE1' HD22 ' A' ' 69' ' ' LEU . 13.6 m-85 -122.49 145.65 48.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.623 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.97 140.49 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.3 m -50.37 128.74 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.26 -29.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' CYS . 14.9 m -84.85 -49.53 8.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 57.8 m -58.13 -35.26 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.11 -55.65 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.94 -47.88 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 4.7 pt-20 -54.43 -45.79 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.488 ' CE1' HG21 ' A' ' 49' ' ' THR . 3.6 t60 -68.88 -44.56 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.2 -42.44 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.49 -59.02 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.76 -60.08 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.8 t -114.03 116.28 44.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.95 2.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -108.03 175.17 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.7 t -69.93 171.0 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -100.13 -22.86 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.673 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mt -101.38 -58.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.45 -6.08 47.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.4 m-20 44.71 49.04 8.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.07 156.2 36.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 p -61.68 -41.99 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.88 57.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.31 37.92 94.46 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' CG2' ' HZ3' ' A' ' 32' ' ' LYS . 70.8 mt -114.77 124.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -145.38 127.22 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 5.3 m120 -108.01 146.84 34.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.43 3.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 40.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -52.64 -39.13 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.98 -57.64 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.965 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.6 tp -38.77 -45.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.56 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.0 mmt -66.85 -46.21 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.02 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -54.4 -53.66 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 70' ' ' MET . 15.0 mt -50.02 -55.77 13.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -47.83 148.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.6 mptp? -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 m -146.27 162.47 38.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.75 -168.06 23.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.43 21.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.388 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -84.21 146.14 27.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.5 t -73.27 131.13 41.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.481 -179.996 . . . . . . . . 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 -0.319 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -64.48 93.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -129.45 89.77 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.47 68.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 p -148.88 156.93 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -132.58 108.59 9.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.03 -176.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.52 -129.28 9.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t 67.83 47.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -70.2 129.38 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -91.5 105.41 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -114.19 86.98 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.48 -35.65 77.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt -39.9 132.74 1.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.75 157.69 59.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.24 -38.18 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -127.17 168.01 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 36.2 t -67.74 161.61 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.48 -32.19 6.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 71.2 mt -64.1 -30.26 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 23' ' ' GLN . 17.2 p -123.6 -14.82 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 65.12 33.59 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' HG2' ' SG ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -121.08 176.03 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.28 124.7 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -47.25 112.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -112.34 106.26 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 58.55 51.09 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.79 146.42 59.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 63' ' ' PHE . 18.8 m -126.18 141.61 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 7.8 p -88.61 130.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 p -105.32 177.97 4.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -63.09 -28.21 69.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -78.89 6.47 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 62.11 46.75 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.7 m170 -128.87 161.61 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 1.048 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -121.53 145.2 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.63 140.36 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.7 m -51.23 128.94 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.35 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' CYS . 47.1 t -85.81 -46.68 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 55.7 m -61.81 -30.15 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.16 -53.61 10.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.78 -43.84 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 12.9 pt-20 -57.14 -49.14 76.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 3.9 t60 -67.3 -38.93 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -54.42 -41.95 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -53.26 -56.48 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.566 ' O ' HG23 ' A' ' 49' ' ' THR . 14.7 t -116.83 116.81 38.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.548 0.69 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -104.04 178.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.4 t -74.69 168.01 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 34.9 t80 -100.03 -15.16 18.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.0 mt -107.56 -57.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -95.65 -5.38 42.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 31.9 t70 45.85 50.46 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.63 157.72 33.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 88.51 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.5 p -72.42 -30.1 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.7 38.61 92.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.51 37.04 94.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -110.27 133.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 29' ' ' VAL . 92.1 m-85 -156.83 113.35 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.98 145.78 30.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.77 3.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -89.61 44.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -55.45 -35.64 65.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 69' ' ' LEU . 13.1 pt-20 -64.79 -43.98 91.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.0 tp -54.59 -48.28 72.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 73' ' ' LEU . 37.8 mmt -61.53 -40.91 96.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -62.58 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -41.2 -47.31 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 70' ' ' MET . 5.0 mt -64.83 -52.72 55.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -129.29 134.61 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 72.99 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.5 p -85.99 146.39 26.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.93 -166.97 11.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.95 5.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' SER . 26.6 m -77.02 161.44 28.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' SER . 22.2 t -36.99 137.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.458 179.995 . . . . . . . . 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 . . . . . 0.448 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.3 t -34.94 116.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -93.98 83.42 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -149.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -49.8 137.8 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.55 137.76 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.43 -128.47 4.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.58 -167.35 40.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -171.2 152.21 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -110.93 144.39 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.03 93.62 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -174.2 118.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.8 25.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.39 127.21 40.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.66 -37.05 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -126.64 166.79 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.6 t -67.38 162.28 23.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -111.46 -32.33 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' A' ' 41' ' ' CYS . 84.9 mt -63.51 -36.22 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.8 p -116.84 -16.13 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 65.97 32.22 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -121.2 172.55 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 127.22 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -51.78 111.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -108.13 109.75 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 52.72 53.15 11.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.8 145.19 56.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 29.6 m -125.42 146.17 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 10.8 p -87.57 129.92 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 p -101.29 179.14 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.4 17.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? 53.85 42.64 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.638 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.2 m170 -121.68 158.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 69' ' ' LEU . 18.9 m-85 -116.55 145.57 43.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -154.1 140.52 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.7 m -50.16 128.52 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -38.98 -32.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 -47.6 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.4 m -58.77 -44.41 90.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.76 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.17 -61.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -46.69 -52.41 13.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 6.4 t60 -62.44 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -48.72 -39.49 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -59.69 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.82 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.426 HG21 ' NE2' ' A' ' 45' ' ' HIS . 4.3 t -116.1 117.5 39.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.64 2.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -116.06 176.99 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 10.8 t -69.7 170.3 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.596 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.6 t80 -102.88 -22.71 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.7 mt -97.04 -57.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.7 p -92.9 -13.56 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 36.0 m-20 54.69 47.52 22.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -109.67 155.87 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.68 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.1 p -56.99 -37.0 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.57 20.26 51.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.85 22.57 72.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.529 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.81 134.23 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -146.98 105.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 5.4 m120 -94.43 145.8 30.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.09 3.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.19 38.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.4 -48.42 79.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.661 HD23 ' HE3' ' A' ' 70' ' ' MET . 5.8 tp -48.37 -54.35 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.661 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.0 mmt -58.44 -44.1 89.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.89 -40.24 6.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -65.41 -61.4 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 70' ' ' MET . 9.3 mt -46.1 -43.77 15.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.41 132.56 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.0 103.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -47.5 136.4 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.6 -82.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.51 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' SER . 30.7 t -94.91 -52.14 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' SER . 28.1 t -38.09 -54.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.514 179.932 . . . . . . . . 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 -0.271 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -162.77 120.98 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -82.35 -44.67 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.48 -158.58 14.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -126.19 150.64 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -120.32 165.19 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.66 -86.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.01 -150.52 21.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -83.48 80.83 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -79.44 93.51 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.7 88.95 2.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -124.32 79.59 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' ILE . 20.5 tp10 -69.52 -38.6 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.2 mt -35.37 137.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.76 159.98 51.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -110.13 -37.59 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.15 164.29 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.529 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 38.2 t -61.68 162.44 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.59 -31.91 6.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 82.4 mt -64.75 -34.08 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.9 p -119.43 -14.8 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 64.25 32.17 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.33 172.92 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.52 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.0 m-85 -53.87 109.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -109.1 109.62 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 55.57 51.42 6.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.81 147.36 62.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.724 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.9 m -129.82 141.82 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.42 133.33 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -108.31 177.86 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -59.98 -31.05 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 p -78.73 11.38 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 57.25 41.84 26.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.4 m170 -121.16 160.8 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.768 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -122.05 143.26 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.45 144.84 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' SER . 32.8 m -54.34 127.36 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.8 tt0 -37.22 -32.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' CYS . 16.6 m -81.57 -48.88 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.5 m -57.17 -41.1 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -63.37 -42.71 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.99 -62.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.82 -51.0 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.9 t60 -62.89 -44.9 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -48.47 -43.17 34.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.02 -59.24 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.17 -56.73 9.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.557 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.9 t -117.24 116.63 37.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.4 3.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -111.49 179.13 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -70.73 168.16 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.8 t80 -99.95 -16.12 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.2 mt -106.95 -57.87 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.9 p -95.65 -4.79 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.2 m-20 45.05 50.48 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -101.89 156.81 34.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.55 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' ILE . 64.1 p -66.18 -41.45 90.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.44 31.95 52.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.9 33.06 84.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' THR . 47.9 mt -106.25 135.16 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB3' HG21 ' A' ' 29' ' ' VAL . 62.0 m-85 -157.87 105.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -98.98 145.98 30.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.49 3.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.29 38.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -48.26 -55.37 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -43.71 -44.08 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 36' ' ' TYR . 4.4 tp -64.81 -34.56 78.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -70.36 -39.39 74.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.01 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.87 -62.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.8 mt -51.95 -58.32 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' MET . 5.3 pm0 -147.35 165.96 28.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' GLY . 7.6 t -99.82 -50.38 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' SER . . . -36.57 114.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.2 p -61.83 141.66 57.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -151.91 123.02 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.462 179.973 . . . . . . . . 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 -0.341 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -146.05 157.05 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -130.02 153.58 48.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 77.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -116.1 161.3 19.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -86.71 145.48 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.44 104.01 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.36 78.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 t -69.13 -43.06 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 45.48 47.65 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -43.95 127.46 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -115.66 81.31 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 5.6 mm-40 -55.69 -38.99 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 69' ' ' LEU . 92.9 mt -34.91 136.0 0.4 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.84 158.11 57.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -104.54 -34.97 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.5 162.23 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 51.2 t -61.1 162.0 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.04 -28.87 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 41' ' ' CYS . 43.4 mt -66.68 -35.34 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.6 p -119.37 -11.92 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 61.17 36.44 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -123.18 172.56 8.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.81 125.73 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.6 m-85 -48.24 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -106.04 108.82 20.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 54.36 52.93 9.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.73 147.13 62.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -128.26 141.21 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.32 131.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -103.89 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -66.2 -23.75 66.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -85.6 13.46 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 58.22 42.76 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.4 m170 -124.37 160.03 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.606 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.1 m-85 -123.41 146.34 48.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.12 146.35 23.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.6 m -55.61 128.96 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.74 -32.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -80.92 -46.26 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' HB3' HD13 ' A' ' 20' ' ' ILE . 53.5 m -59.49 -46.17 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.46 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.99 -56.89 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -51.69 -53.29 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 16.8 t60 -60.51 -40.63 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.81 -40.05 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.72 -53.53 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.428 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.9 t -115.51 118.12 39.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.555 0.693 . . . . 0.0 111.153 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -114.31 171.91 7.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 9.7 t -63.33 171.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 48.1 t80 -101.12 -25.05 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.1 mt -98.62 -57.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.6 p -89.97 -11.76 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.4 m-20 51.17 47.37 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -103.96 157.51 33.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.39 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 76.4 p -77.39 -26.48 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.69 23.02 64.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 36.56 57.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -112.07 127.15 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -148.48 122.12 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -105.21 146.47 32.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.62 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -53.18 -41.96 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 35.5 mt-10 -58.71 -61.48 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 14' ' ' ILE . 9.4 tp -34.68 -51.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.632 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.4 mmt -60.9 -58.31 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.61 -45.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -59.18 -55.28 37.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 70' ' ' MET . 16.4 mt -48.33 -55.57 10.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -167.34 157.52 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -154.18 141.12 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 t -97.52 -47.37 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.23 90.38 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 m -132.1 109.89 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -77.62 130.87 37.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.456 179.973 . . . . . . . . 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 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -83.67 89.26 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -148.88 154.33 39.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.06 -173.93 14.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -79.76 83.07 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -129.19 88.56 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.56 47.48 0.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.37 112.56 3.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.534 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -131.38 167.95 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.5 151.78 51.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.96 48.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -120.28 79.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.7 tp10 -55.21 -36.02 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' GLU . 51.4 mt -33.76 129.2 0.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.56 59.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -102.56 -37.37 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.2 ptt85 -131.64 169.85 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t -67.59 162.17 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.95 -30.65 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 41' ' ' CYS . 48.4 mt -64.42 -38.96 83.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -115.28 -16.75 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mmm-85 66.72 37.36 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -126.35 171.43 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.03 131.26 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.5 m-85 -55.64 110.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.6 103.53 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 60.27 52.46 3.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.79 144.18 53.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 15.3 m -123.13 141.08 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.1 p -87.93 137.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -112.29 178.27 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.22 -30.08 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.63 10.98 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 58.07 49.54 11.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 50.7 m170 -129.6 160.0 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -122.3 146.72 47.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.88 144.09 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.2 m -53.74 128.24 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -38.85 -32.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -81.41 -46.24 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' HD13 ' A' ' 20' ' ' ILE . 52.4 m -59.89 -46.26 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.634 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.93 -48.81 78.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.26 -60.36 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.51 -55.35 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 41.0 t60 -60.32 -38.11 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -55.67 -42.53 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -54.85 -57.93 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.85 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 49' ' ' THR . 5.5 t -130.87 116.89 17.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.144 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -115.64 165.09 13.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.9 t -58.69 168.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 13.1 t80 -100.18 -17.39 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.7 mt -105.93 -58.24 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 57' ' ' GLN . 29.5 p -94.38 -6.11 44.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-20 48.04 46.2 19.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 55' ' ' CYS . 5.8 mt-30 -87.72 156.73 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.4 p -74.26 -42.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.21 34.03 66.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.75 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -110.62 132.75 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 88.7 m-85 -156.8 121.16 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -103.69 145.77 31.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.9 5.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.82 41.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -51.23 -43.05 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.13 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -37.82 -55.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.591 ' HA ' HD12 ' A' ' 73' ' ' LEU . 35.9 mmt -59.66 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.42 -39.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -65.7 -48.95 70.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 70' ' ' MET . 7.6 mt -59.88 -46.77 88.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -80.7 145.86 31.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -87.91 151.41 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 t -76.17 84.31 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.54 145.64 15.31 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 90.56 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -57.61 90.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 m -160.01 122.96 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.453 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -96.09 174.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -120.27 127.55 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.85 139.72 21.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 p -117.47 101.59 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -112.69 80.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.94 53.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.12 44.26 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -83.1 90.14 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.92 136.9 45.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -122.44 46.99 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.85 80.7 2.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.4 mt-10 -55.56 -37.06 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLU . 52.0 mt -37.42 129.21 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.67 62.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -103.6 -38.32 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -129.88 160.86 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.5 t -60.13 161.14 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.671 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.59 -29.66 7.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.586 HG12 ' CD2' ' A' ' 53' ' ' TYR . 58.5 mt -66.34 -33.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.497 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 11.6 p -119.87 -14.64 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 64.81 29.0 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -117.85 168.8 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.91 130.77 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -52.93 112.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -109.89 105.67 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 55.93 53.11 7.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.82 143.63 51.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -122.66 141.12 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -88.23 129.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -104.33 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -63.07 -28.24 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -79.84 10.97 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 58.42 43.16 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 51.6 m170 -124.5 162.99 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.66 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.6 m-85 -124.48 146.61 48.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -154.86 143.29 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.57 129.5 29.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -40.2 -33.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -80.57 -47.97 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.8 m -57.75 -47.85 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.15 73.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.29 -56.83 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -50.34 -55.24 16.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -56.54 -38.95 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -60.38 -36.87 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -48.35 -55.79 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.62 -63.27 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 49' ' ' THR . 13.2 t -111.21 117.14 50.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.15 3.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -100.13 178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.9 t -73.42 169.36 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 20' ' ' ILE . 25.4 t80 -100.97 -18.27 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.671 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.7 mt -104.21 -56.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.56 -7.82 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.5 t70 46.43 51.19 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -98.99 157.33 34.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.39 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 62' ' ' ILE . 44.5 p -66.81 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.15 35.96 71.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.52 36.05 92.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 59' ' ' THR . 68.2 mt -109.57 134.04 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -154.16 117.85 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.62 146.08 31.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 109.9 2.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -87.4 40.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -48.89 -50.45 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 31.1 mp0 -48.36 -57.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 ' HE3' ' A' ' 70' ' ' MET . 9.2 tp -41.09 -55.76 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.662 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.9 mmt -56.08 -41.53 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -52.49 -47.81 66.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.55 -45.04 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.77 -51.74 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -161.5 130.98 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 144.72 55.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -140.41 132.62 28.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.39 -106.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -10.36 28.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.0 t -57.24 -62.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.9 m -100.65 153.54 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.469 -179.951 . . . . . . . . 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 ' 14' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.7 mt . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 121.616 0.722 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 14' ' ' ILE . 54.0 Cg_endo -69.74 162.16 43.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -110.57 -36.46 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -132.7 164.38 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.6 t -61.12 161.01 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -112.55 -28.58 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 41' ' ' CYS . 86.4 mt -67.82 -35.17 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.0 p -118.29 -14.19 9.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 64.7 35.06 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.69 174.9 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.69 127.94 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.9 m-85 -51.49 111.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -109.99 102.13 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.4 m-20 61.09 52.55 2.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.78 142.68 48.49 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.76 139.06 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.627 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.9 p -88.01 133.81 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -109.11 178.13 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 p -81.36 12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 56.09 46.59 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.9 m170 -128.14 160.0 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.8 m-85 -123.05 147.53 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.79 141.16 18.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.6 m -50.48 128.64 20.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -39.69 -31.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.55 -43.24 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' CYS . 51.2 m -63.51 -43.62 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.94 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.48 -51.39 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.91 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 31.0 t60 -58.5 -45.24 89.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -51.72 -41.9 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -54.08 -57.74 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -55.77 13.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 49' ' ' THR . 10.2 t -120.4 121.65 29.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.95 13.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.97 179.78 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -75.46 169.13 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -98.28 -15.63 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 59.4 mt -109.56 -55.09 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.0 p -93.52 -8.54 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.428 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 29.7 m-20 45.41 50.04 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.58 157.98 32.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.9 p -63.28 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 35.99 63.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.59 37.2 93.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.2 mt -111.91 136.81 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -156.71 128.87 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.6 m-80 -112.22 145.83 33.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -88.7 36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -52.75 -38.06 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.22 -39.18 85.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.9 tp -60.4 -46.59 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.9 mmt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.832 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.04 58.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -106.59 -38.17 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -129.26 164.72 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -62.05 162.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.91 -29.98 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 41' ' ' CYS . 85.3 mt -66.72 -34.38 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.5 p -118.89 -14.47 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 64.86 29.32 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -118.19 173.53 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.551 ' HB3' HE22 ' A' ' 26' ' ' GLN . . . -54.41 136.18 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.2 m-85 -59.92 113.83 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.551 HE22 ' HB3' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -111.79 99.49 8.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 62.94 52.64 1.68 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.7 142.38 48.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.736 2.29 . . . . 0.0 112.369 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 m -121.33 141.84 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 64' ' ' ASN . 7.2 p -88.06 130.91 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -104.75 178.16 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -63.27 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.2 p -80.21 12.35 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 57.06 47.36 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.6 m170 -128.34 161.82 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 1.068 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -123.27 145.56 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.46 142.95 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 m -52.1 129.88 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -39.88 -34.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -79.42 -45.77 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.6 m -60.51 -44.9 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -50.51 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.38 -60.2 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -47.61 -52.72 16.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t60 -62.24 -44.81 95.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -50.47 -40.95 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -53.38 -56.79 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 49' ' ' THR . 11.3 t -109.37 117.53 52.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.57 2.7 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -113.24 177.13 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.48 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.7 t -69.67 169.17 13.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 7.9 t80 -100.36 -18.06 16.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 50.9 mt -104.77 -58.55 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.01 -5.45 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 9.2 m-20 45.58 50.67 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -96.17 158.68 33.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -72.09 -41.77 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.77 35.08 89.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.63 91.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.71 137.24 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.547 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 93.7 m-85 -156.08 124.31 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 30' ' ' VAL . 7.7 m120 -105.16 145.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 127.61 14.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -109.43 43.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -68.43 -48.0 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.068 HD22 ' CE1' ' A' ' 36' ' ' TYR . 8.7 tp -51.91 -45.35 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.1 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 15' ' ' PRO . 71.9 mt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.63 0.729 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.72 157.06 61.78 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -103.16 -38.8 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -132.3 163.77 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.4 t -60.44 162.23 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -112.13 -30.22 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' CYS . 87.1 mt -65.98 -37.46 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -116.5 -14.4 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 63.87 35.09 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.74 171.34 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.2 129.13 27.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.0 m-85 -51.71 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -108.03 111.08 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.7 m-20 52.49 52.18 10.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.76 148.95 66.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.3 m -131.01 142.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.19 135.0 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 p -108.24 178.05 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -64.14 -27.45 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.72 11.58 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 58.75 44.96 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.3 m170 -125.93 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.777 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -124.7 145.08 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.5 143.85 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 m -53.16 129.5 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.59 -35.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -78.99 -46.09 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.578 ' HB3' HD12 ' A' ' 20' ' ' ILE . 52.9 m -59.7 -43.72 93.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.99 -52.67 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.78 -56.76 11.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -50.45 -51.96 42.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 27.5 t60 -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -59.26 -38.47 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -57.21 -56.76 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.26 -57.16 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.9 t -116.93 118.24 36.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.15 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.74 2.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -110.54 176.78 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -71.04 170.49 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 t80 -99.82 -21.56 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 58.9 mt -102.12 -58.15 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -90.87 -9.76 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.9 m-20 48.22 49.29 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.92 156.53 35.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -67.37 -41.19 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.54 33.92 46.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.2 40.66 99.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.47 129.9 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.531 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 85.5 m-85 -151.02 114.77 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -99.79 146.07 31.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.65 5.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.38 41.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -49.91 -46.36 51.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.777 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.5 tp -46.58 -50.91 16.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 34.9 mmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.591 0.71 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.8 158.0 58.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -105.3 -35.68 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.3 ptt-85 -131.55 165.7 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.6 t -64.25 161.48 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -112.4 -29.41 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 53' ' ' TYR . 74.7 mt -66.55 -31.76 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 17.7 p -122.94 -13.59 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 26.6 mmt180 62.76 36.77 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.5 mm-40 -124.64 169.94 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 125.56 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -49.76 109.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.71 108.23 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 55.19 52.67 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.4 Cg_endo -69.79 148.36 64.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -127.43 140.21 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.05 132.52 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.7 p -106.44 178.3 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 p -82.65 13.2 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.78 45.63 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.7 m170 -126.84 160.74 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 69' ' ' LEU . 8.6 m-85 -122.65 147.67 46.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.92 142.75 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 m -53.83 129.39 33.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -40.76 -31.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -81.74 -46.76 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 m -58.86 -48.07 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.11 -49.33 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -68.06 -60.99 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.28 -53.28 22.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.59 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 29.2 t60 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -50.07 -48.26 53.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -47.58 -51.24 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -53.87 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 49' ' ' THR . 9.7 t -120.14 117.56 31.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.712 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.89 3.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -116.62 173.97 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.4 t -63.11 170.4 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 45.2 t80 -101.8 -23.9 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.5 mt -98.63 -56.67 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.9 p -92.24 -10.93 36.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 48.99 49.78 18.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.29 157.65 33.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 88.48 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.5 p -67.45 -37.91 83.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.13 32.7 65.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.33 35.58 91.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.531 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.92 128.7 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -152.64 122.98 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -108.89 145.98 32.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 114.25 3.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.96 39.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -49.55 -39.59 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' LEU . 6.9 mp0 -58.75 -57.99 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.9 tp -37.0 -50.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.541 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.1 mmt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.646 0.736 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.4 Cg_endo -69.78 157.56 59.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -103.74 -39.23 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -132.0 163.43 28.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.2 t -61.66 162.11 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.92 -29.6 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 58.1 mt -66.38 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.4 p -119.38 -13.43 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 63.14 33.37 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -120.74 174.8 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.46 125.95 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.9 m-85 -48.19 112.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.56 106.6 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 m-20 56.06 52.46 7.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.77 143.24 50.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 m -122.32 142.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.58 131.7 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -105.34 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -63.37 -27.96 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.22 10.93 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 58.93 42.82 18.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.3 m170 -123.74 163.56 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.946 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -125.5 147.02 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.46 142.31 19.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 m -50.5 131.7 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -41.34 -35.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 t -79.05 -46.99 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -58.43 -48.44 80.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.85 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -59.82 -56.46 21.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.95 -57.1 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.617 ' NE2' HG21 ' A' ' 49' ' ' THR . 12.0 t60 -55.46 -45.32 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -50.16 -44.21 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -53.03 -55.87 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.83 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.617 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.7 t -109.68 116.68 53.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.92 3.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -116.14 172.23 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.8 t -65.49 170.18 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 54.7 t80 -101.42 -22.65 14.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.1 mt -100.43 -55.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.03 -11.48 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 m-20 49.41 48.81 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -103.42 156.83 34.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.2 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -67.91 -41.25 82.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.2 35.03 54.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.36 41.14 99.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.97 128.54 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -151.77 124.79 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -109.33 145.95 32.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.86 41.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -46.18 -42.76 14.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' LEU . 69.5 mm-40 -56.2 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' CE1' ' A' ' 36' ' ' TYR . 55.4 tp -35.1 -51.1 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.571 ' HE1' ' HG ' ' A' ' 69' ' ' LEU . 32.4 mmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 15' ' ' PRO . 73.0 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.66 0.743 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.77 153.69 68.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -101.27 -38.27 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -131.63 163.31 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.5 t -61.34 161.47 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.52 -29.22 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 65.0 mt -66.97 -36.44 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.3 p -117.07 -14.22 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 64.33 32.51 12.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -119.87 175.44 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 126.38 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.36 110.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -109.16 102.14 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 4.7 m-20 61.34 52.54 2.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.3 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 63' ' ' PHE . 20.4 m -125.54 141.75 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.78 134.49 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -109.71 178.2 4.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -62.9 -27.71 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 57' ' ' GLN . 6.0 p -81.98 12.83 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 56.59 44.47 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 49.8 m170 -124.24 161.51 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.631 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -124.79 143.55 50.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.51 143.61 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.0 m -51.62 129.7 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -39.13 -34.77 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.2 t -79.55 -45.27 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -60.51 -45.42 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.14 -52.26 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.07 -57.79 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -48.45 -53.62 17.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 15.0 t60 -61.47 -40.1 93.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.3 -40.61 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -54.28 -54.85 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 49' ' ' THR . 6.3 t -112.4 117.24 47.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.555 0.693 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.23 2.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -111.52 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.465 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -69.73 169.97 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.5 t80 -100.75 -18.37 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.5 mt -104.77 -58.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.07 -6.56 44.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.465 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 5.2 m-20 48.67 49.07 19.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -98.3 153.2 38.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 86.32 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 p -66.71 -35.8 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.7 37.7 89.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.51 40.38 99.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.5 mt -115.69 128.05 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 63.8 m-85 -152.42 120.82 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -105.92 146.03 32.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.47 5.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.88 40.06 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -45.07 -46.88 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 10.1 tp10 -53.02 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.631 HD22 ' CE1' ' A' ' 36' ' ' TYR . 17.4 tp -34.35 -49.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 37.5 mmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.91 32.78 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -109.13 -37.04 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -135.73 163.52 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.4 t -60.48 162.23 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.05 -30.48 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 72.2 mt -66.04 -35.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.6 p -117.56 -15.77 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 65.02 34.22 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.24 172.73 8.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.3 126.9 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 7.9 m-85 -49.86 112.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.28 103.95 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 58.09 52.97 5.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.7 Cg_endo -69.74 146.18 59.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.0 m -124.74 140.52 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -88.44 134.85 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 p -110.88 177.62 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 62' ' ' ILE . 30.0 mtmt -61.33 -28.4 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -80.87 12.84 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? 55.42 44.94 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -125.08 161.04 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.945 ' CE1' HD22 ' A' ' 69' ' ' LEU . 12.1 m-85 -123.25 146.92 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.65 142.91 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.05 128.93 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -38.66 -34.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 t -79.46 -46.29 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -59.74 -47.8 84.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.76 -48.27 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.64 -58.45 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.28 -50.93 48.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t60 -60.23 -41.39 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -54.34 -41.4 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -54.38 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -57.46 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.451 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.6 t -117.64 117.58 35.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.187 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -112.35 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -67.19 170.36 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.4 t80 -100.74 -21.89 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.9 mt -100.63 -58.78 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.3 p -91.41 -9.81 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 23.8 m-20 49.59 49.6 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -101.87 156.65 34.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 89.42 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -69.38 -33.57 73.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.54 92.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.55 39.13 96.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 ' HE2' ' A' ' 32' ' ' LYS . 84.2 mt -113.39 135.47 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' HG21 ' A' ' 29' ' ' VAL . 76.6 m-85 -157.16 114.71 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -97.27 145.88 30.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.19 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.43 42.18 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -51.52 -46.59 63.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.14 -56.22 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.945 HD22 ' CE1' ' A' ' 36' ' ' TYR . 23.9 tp -39.11 -54.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.478 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 35.2 mmt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.3 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.61 0.719 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.8 162.15 43.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -105.95 -37.14 6.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -135.72 161.51 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -57.98 161.82 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.84 -30.42 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.529 HG12 ' CD2' ' A' ' 53' ' ' TYR . 69.1 mt -65.49 -36.98 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 14.1 p -116.76 -14.56 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 64.19 35.13 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -122.34 175.22 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.22 126.24 26.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.9 m-85 -49.39 111.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -109.44 105.65 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 57.05 52.8 6.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.82 141.4 44.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.0 m -120.52 141.91 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.44 134.88 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 p -109.46 178.05 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -63.16 -27.74 69.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -82.26 14.84 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 54.67 45.58 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.2 m170 -125.6 162.45 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -125.51 146.67 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.64 142.11 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 m -51.1 129.32 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -38.88 -33.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.7 t -81.22 -44.63 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -61.52 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.91 -48.34 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.67 -57.87 5.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.22 -49.1 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.6 t60 -67.33 -33.88 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.26 -45.38 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -52.61 -57.0 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -54.17 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -123.52 118.64 27.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -106.94 175.55 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.2 t -71.18 169.64 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 60.7 t80 -98.7 -19.59 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.1 mt -105.42 -58.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.38 -4.0 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 p-10 42.53 49.13 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.83 158.43 34.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 85.12 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' ILE . 63.2 p -67.72 -40.12 84.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.27 37.95 87.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 41.33 99.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 59' ' ' THR . 69.6 mt -114.43 129.59 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.437 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 69.2 m-85 -153.65 122.06 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.92 145.87 31.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.95 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.77 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -52.35 -40.13 61.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.93 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.727 HD23 ' HE3' ' A' ' 70' ' ' MET . 7.3 tp -49.11 -50.16 38.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.727 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.2 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 ' HD2' ' A' ' 15' ' ' PRO . 87.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.82 158.9 55.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.61 -38.2 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.4 160.95 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.0 t -58.24 161.57 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.93 -29.08 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 53.7 mt -66.82 -36.22 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.5 p -117.58 -14.92 10.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.98 35.81 7.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -123.2 174.38 7.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.05 128.53 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.1 m-85 -50.46 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -106.79 107.28 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.5 m-20 55.9 52.88 7.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.2 Cg_endo -69.78 141.69 45.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.266 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 30.8 m -121.14 141.47 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -87.71 132.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.6 p -105.79 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -63.54 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 p -80.67 13.85 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 56.73 44.74 23.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.615 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -124.47 161.74 25.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.919 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.2 m-85 -124.29 145.69 49.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.77 144.95 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.2 m -52.71 130.43 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -40.96 -33.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -80.57 -45.76 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -60.03 -47.44 85.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.03 -47.77 80.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.83 -60.84 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.46 -55.67 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.1 t60 -58.58 -40.98 84.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.51 -42.93 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -53.71 -54.44 37.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.74 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.02 117.79 43.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.386 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -115.77 175.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.3 t -66.47 171.62 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 36.1 t80 -101.78 -24.14 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 63.0 mt -99.79 -56.9 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -92.15 -9.36 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 34.9 t70 50.16 46.06 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.39 154.88 37.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 93.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.9 p -74.6 -23.36 58.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.86 33.94 64.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.09 40.28 95.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.2 mt -112.84 129.54 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 77.4 m-85 -150.77 118.62 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -106.08 145.85 31.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.19 3.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -91.5 39.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -41.29 23.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.0 -53.72 55.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.919 HD22 ' CD1' ' A' ' 36' ' ' TYR . 15.5 tp -45.45 -46.19 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.523 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.652 0.739 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.7 Cg_endo -69.83 162.76 40.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.64 -35.69 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -135.29 162.69 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.2 t -60.44 162.07 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -112.87 -29.26 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.459 HD13 ' HB3' ' A' ' 41' ' ' CYS . 42.2 mt -67.39 -33.49 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.3 p -120.45 -11.64 9.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 61.67 32.88 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.62 172.64 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 132.28 42.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -54.69 110.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.73 107.45 17.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 56.66 51.81 5.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 54.1 Cg_endo -69.69 144.82 55.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.1 m -125.04 141.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' VAL . 8.1 p -88.23 130.65 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 p -104.68 178.42 4.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -64.05 -27.22 68.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 p -81.77 13.06 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 56.81 45.08 22.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.3 m170 -125.82 161.59 27.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.765 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.5 m-85 -124.63 144.73 50.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -152.99 143.77 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.0 m -52.43 129.24 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.22 -32.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.3 m -81.37 -46.92 13.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.459 ' HB3' HD13 ' A' ' 20' ' ' ILE . 54.9 m -59.23 -44.54 92.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.95 -50.27 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.78 -55.39 17.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -52.52 -52.4 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.3 t60 -62.62 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.46 -41.08 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -55.89 -62.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.93 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.7 t -116.2 117.83 38.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -114.2 176.07 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -67.23 170.37 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.2 t80 -101.23 -21.44 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.675 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.5 mt -101.64 -56.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -91.38 -11.49 37.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 50.78 47.63 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -102.17 156.63 35.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.685 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 90.97 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -68.17 -40.09 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.88 35.97 61.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.85 39.44 97.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.5 mt -116.16 126.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 87.4 m-85 -148.06 115.68 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -98.21 145.81 30.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.02 10.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.59 40.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -52.67 -42.49 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.97 -49.77 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.765 HD22 ' CE1' ' A' ' 36' ' ' TYR . 6.9 tp -45.81 -46.61 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 32.1 mmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.618 0.723 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 158.35 57.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -105.26 -38.06 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -127.97 166.48 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -65.98 162.02 20.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.73 -30.72 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 81.0 mt -65.1 -36.54 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.9 p -116.96 -14.7 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 64.7 32.68 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -120.99 173.7 7.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 126.35 25.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.1 m-85 -50.01 112.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -110.18 106.14 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.6 m-20 56.59 52.73 6.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.73 143.89 52.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.751 2.301 . . . . 0.0 112.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 m -122.05 141.49 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.2 p -88.5 128.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -102.88 177.74 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.46 -27.76 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.1 p -80.55 11.22 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 58.06 43.48 20.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.1 m170 -124.78 160.7 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 1.032 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.7 m-85 -121.66 146.51 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.32 142.78 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 m -52.69 128.8 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -39.03 -34.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -79.37 -46.12 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -59.86 -45.86 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.72 -43.89 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.52 -52.46 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.6 t60 -60.38 -47.99 83.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.08 -40.73 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.83 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 49' ' ' THR . 9.7 t -114.06 116.93 44.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.61 2.67 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.62 2.213 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -114.68 174.73 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -66.2 170.1 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.1 t80 -100.69 -22.67 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.3 mt -101.18 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.21 -10.34 42.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 t70 48.35 49.03 18.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -104.43 157.07 34.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.26 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -70.59 -31.11 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.31 38.8 97.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.72 39.0 96.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.41 130.65 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 89.1 m-85 -152.31 110.13 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' HB2' HG13 ' A' ' 30' ' ' VAL . 2.3 m120 -95.78 145.88 30.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 123.93 10.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -105.33 40.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.046 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.9 -40.07 55.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.98 -57.58 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.032 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.1 tp -39.2 -45.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.0 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.75 159.69 52.49 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -107.62 -37.67 6.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -133.6 162.9 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -58.68 162.11 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.99 -30.36 7.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.515 HG12 ' CG ' ' A' ' 53' ' ' TYR . 53.1 mt -65.93 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.499 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -116.2 -14.21 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 63.11 36.5 12.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -124.09 170.95 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 126.09 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.06 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -106.64 107.5 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 m-20 56.43 52.93 7.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.8 148.35 64.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 63' ' ' PHE . 28.4 m -129.99 139.96 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.5 p -87.79 128.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -101.84 177.91 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.16 -26.38 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -81.58 10.04 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 59.99 45.55 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 60.3 m170 -126.96 162.06 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.942 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -123.75 143.08 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.99 141.89 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.9 m -51.59 129.03 24.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -39.07 -35.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -78.75 -48.6 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.3 m -56.83 -45.92 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -47.62 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.94 -59.62 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -50.48 -49.87 54.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 38.0 t60 -62.35 -38.11 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -39.81 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -56.14 -61.66 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -126.07 117.53 23.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -106.68 175.2 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -69.33 168.73 13.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 22.4 t80 -97.3 -15.31 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 67.1 mt -111.54 -56.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.87 -2.33 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 41.88 51.69 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -104.25 157.62 33.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.15 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.637 2.224 . . . . 0.0 112.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -68.27 -21.84 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.52 38.05 85.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.26 42.84 93.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.94 132.28 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 56.7 m-85 -150.93 118.72 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.1 m120 -108.63 146.35 33.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 116.7 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -90.91 36.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -51.38 -51.61 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.28 -39.58 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.942 HD22 ' CE1' ' A' ' 36' ' ' TYR . 2.1 tp -70.8 -40.76 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 15' ' ' PRO . 89.6 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.74 158.43 57.0 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 9.2 t80 -107.01 -35.47 6.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -134.31 165.32 25.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.9 t -61.28 162.26 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -112.89 -30.84 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 41' ' ' CYS . 95.9 mt -66.68 -32.8 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -120.51 -15.46 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 64.3 36.31 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -123.61 173.26 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.91 123.59 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -46.19 110.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 25' ' ' PHE . 2.8 mm100 -107.81 106.45 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 54.81 53.74 9.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.2 Cg_endo -69.79 143.29 50.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -122.3 140.99 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.8 p -88.37 131.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -106.76 177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.22 -28.57 69.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.9 p -79.05 9.27 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 59.23 42.84 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.1 m170 -124.15 162.87 22.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.9 m-85 -123.8 147.16 47.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.52 142.13 18.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 m -51.58 130.93 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -41.43 -32.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -81.39 -45.91 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 20' ' ' ILE . 47.4 m -59.78 -48.13 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.51 -47.92 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.08 -59.49 3.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.7 -52.0 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.5 t60 -61.04 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.41 -41.66 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -54.65 -57.98 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -57.93 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 45' ' ' HIS . 1.8 t -115.7 117.33 40.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.575 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 3.14 2.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -112.35 174.28 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.413 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.1 t -67.99 170.21 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.4 t80 -101.44 -21.43 14.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.646 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.8 mt -100.8 -56.43 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.19 -11.56 35.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 11.4 t0 50.52 49.16 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -103.25 156.51 35.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 88.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -68.18 -40.22 82.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.67 34.97 59.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.46 96.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -111.98 135.15 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 83.1 m-85 -157.19 126.08 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -111.36 145.76 33.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.97 3.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.347 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.42 40.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -50.49 -39.69 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.12 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.4 tp -41.81 -45.93 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.497 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 36.8 mmt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 15' ' ' PRO . 98.4 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 121.629 0.728 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.8 157.67 59.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -104.2 -38.46 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -132.38 165.52 24.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 43.2 t -63.56 161.64 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.1 -30.26 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 66.7 mt -66.2 -30.97 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.8 p -122.44 -17.12 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.51 34.44 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.76 172.85 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.48 123.44 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.7 m-85 -44.72 112.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -108.55 106.79 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 53.19 54.13 12.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.561 ' HG3' ' HE3' ' A' ' 70' ' ' MET . 54.1 Cg_endo -69.78 146.61 60.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 m -127.89 141.68 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 30' ' ' VAL . 8.2 p -86.86 130.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -103.22 178.42 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 2.0 mptt -64.31 -26.83 68.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.19 11.97 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 58.26 47.29 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.9 m170 -129.5 161.63 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.965 ' CE1' HD22 ' A' ' 69' ' ' LEU . 13.6 m-85 -122.49 145.65 48.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.623 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.97 140.49 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.3 m -50.37 128.74 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.26 -29.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' CYS . 14.9 m -84.85 -49.53 8.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 57.8 m -58.13 -35.26 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.11 -55.65 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.94 -47.88 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 4.7 pt-20 -54.43 -45.79 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.488 ' CE1' HG21 ' A' ' 49' ' ' THR . 3.6 t60 -68.88 -44.56 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.2 -42.44 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.49 -59.02 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.76 -60.08 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.8 t -114.03 116.28 44.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.95 2.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -108.03 175.17 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.7 t -69.93 171.0 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -100.13 -22.86 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.673 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mt -101.38 -58.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.45 -6.08 47.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.49 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.4 m-20 44.71 49.04 8.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.07 156.2 36.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 p -61.68 -41.99 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.88 57.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.31 37.92 94.46 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' CG2' ' HZ3' ' A' ' 32' ' ' LYS . 70.8 mt -114.77 124.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -145.38 127.22 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 5.3 m120 -108.01 146.84 34.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.43 3.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 40.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -52.64 -39.13 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.98 -57.64 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.965 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.6 tp -38.77 -45.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.561 ' HE3' ' HG3' ' A' ' 28' ' ' PRO . 33.0 mmt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.411 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.615 0.721 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.75 157.69 59.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.24 -38.18 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -127.17 168.01 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 36.2 t -67.74 161.61 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.48 -32.19 6.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 71.2 mt -64.1 -30.26 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 23' ' ' GLN . 17.2 p -123.6 -14.82 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 65.12 33.59 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' HG2' ' SG ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -121.08 176.03 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.28 124.7 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -47.25 112.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -112.34 106.26 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 58.55 51.09 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.79 146.42 59.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 63' ' ' PHE . 18.8 m -126.18 141.61 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 7.8 p -88.61 130.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 p -105.32 177.97 4.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -63.09 -28.21 69.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -78.89 6.47 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 62.11 46.75 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.61 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.7 m170 -128.87 161.61 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 1.048 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -121.53 145.2 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.63 140.36 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.7 m -51.23 128.94 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.35 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' CYS . 47.1 t -85.81 -46.68 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 55.7 m -61.81 -30.15 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.16 -53.61 10.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.78 -43.84 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 12.9 pt-20 -57.14 -49.14 76.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 3.9 t60 -67.3 -38.93 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -54.42 -41.95 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -53.26 -56.48 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 49' ' ' THR . 14.7 t -116.83 116.81 38.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.548 0.69 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -104.04 178.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.4 t -74.69 168.01 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 34.9 t80 -100.03 -15.16 18.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.0 mt -107.56 -57.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -95.65 -5.38 42.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.464 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 31.9 t70 45.85 50.46 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.63 157.72 33.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 88.51 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.5 p -72.42 -30.1 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.7 38.61 92.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.51 37.04 94.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -110.27 133.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 29' ' ' VAL . 92.1 m-85 -156.83 113.35 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.98 145.78 30.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.77 3.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -89.61 44.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -55.45 -35.64 65.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 69' ' ' LEU . 13.1 pt-20 -64.79 -43.98 91.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.0 tp -54.59 -48.28 72.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.8 mmt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.622 0.725 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.66 -37.05 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -126.64 166.79 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.6 t -67.38 162.28 23.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -111.46 -32.33 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' A' ' 41' ' ' CYS . 84.9 mt -63.51 -36.22 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.8 p -116.84 -16.13 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 65.97 32.22 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -121.2 172.55 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 127.22 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -51.78 111.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -108.13 109.75 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 52.72 53.15 11.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.8 145.19 56.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 29.6 m -125.42 146.17 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 10.8 p -87.57 129.92 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 p -101.29 179.14 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.4 17.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? 53.85 42.64 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.638 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.2 m170 -121.68 158.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 69' ' ' LEU . 18.9 m-85 -116.55 145.57 43.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -154.1 140.52 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.7 m -50.16 128.52 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -38.98 -32.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 -47.6 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.4 m -58.77 -44.41 90.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.76 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.17 -61.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -46.69 -52.41 13.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 6.4 t60 -62.44 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -48.72 -39.49 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -59.69 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.82 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.426 HG21 ' NE2' ' A' ' 45' ' ' HIS . 4.3 t -116.1 117.5 39.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.64 2.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -116.06 176.99 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 10.8 t -69.7 170.3 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.596 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.6 t80 -102.88 -22.71 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.7 mt -97.04 -57.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.7 p -92.9 -13.56 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 36.0 m-20 54.69 47.52 22.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -109.67 155.87 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.68 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.1 p -56.99 -37.0 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.57 20.26 51.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.85 22.57 72.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.529 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.81 134.23 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -146.98 105.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 2.4 m-80 -94.43 145.8 30.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.09 3.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.19 38.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.4 -48.42 79.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.661 HD23 ' HE3' ' A' ' 70' ' ' MET . 5.8 tp -48.37 -54.35 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.661 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.0 mmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.76 159.98 51.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -110.13 -37.59 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.15 164.29 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.529 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 38.2 t -61.68 162.44 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.59 -31.91 6.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 82.4 mt -64.75 -34.08 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.9 p -119.43 -14.8 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 64.25 32.17 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.33 172.92 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.52 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.0 m-85 -53.87 109.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -109.1 109.62 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 55.57 51.42 6.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.81 147.36 62.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.724 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.9 m -129.82 141.82 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.42 133.33 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -108.31 177.86 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -59.98 -31.05 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 p -78.73 11.38 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 57.25 41.84 26.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.4 m170 -121.16 160.8 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.768 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -122.05 143.26 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.45 144.84 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' SER . 32.8 m -54.34 127.36 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.8 tt0 -37.22 -32.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' CYS . 16.6 m -81.57 -48.88 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.5 m -57.17 -41.1 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -63.37 -42.71 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.99 -62.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.82 -51.0 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.9 t60 -62.89 -44.9 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -48.47 -43.17 34.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.02 -59.24 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.17 -56.73 9.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.557 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.9 t -117.24 116.63 37.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.4 3.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -111.49 179.13 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -70.73 168.16 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.8 t80 -99.95 -16.12 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.2 mt -106.95 -57.87 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.9 p -95.65 -4.79 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.2 m-20 45.05 50.48 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -101.89 156.81 34.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.55 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' ILE . 64.1 p -66.18 -41.45 90.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.44 31.95 52.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.9 33.06 84.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' THR . 47.9 mt -106.25 135.16 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB3' HG21 ' A' ' 29' ' ' VAL . 62.0 m-85 -157.87 105.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -98.98 145.98 30.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.49 3.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.29 38.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -48.26 -55.37 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -43.71 -44.08 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 36' ' ' TYR . 4.4 tp -64.81 -34.56 78.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 69' ' ' LEU . 92.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.84 158.11 57.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -104.54 -34.97 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.5 162.23 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 51.2 t -61.1 162.0 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.04 -28.87 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 41' ' ' CYS . 43.4 mt -66.68 -35.34 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.6 p -119.37 -11.92 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 61.17 36.44 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -123.18 172.56 8.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.81 125.73 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.6 m-85 -48.24 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -106.04 108.82 20.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 54.36 52.93 9.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.73 147.13 62.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -128.26 141.21 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.32 131.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -103.89 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -66.2 -23.75 66.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -85.6 13.46 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 58.22 42.76 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.4 m170 -124.37 160.03 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.606 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.1 m-85 -123.41 146.34 48.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.12 146.35 23.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 32.6 m -55.61 128.96 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.74 -32.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -80.92 -46.26 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' HB3' HD13 ' A' ' 20' ' ' ILE . 53.5 m -59.49 -46.17 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.46 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.99 -56.89 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -51.69 -53.29 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 16.8 t60 -60.51 -40.63 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.81 -40.05 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.72 -53.53 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.428 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.9 t -115.51 118.12 39.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.555 0.693 . . . . 0.0 111.153 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -114.31 171.91 7.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 9.7 t -63.33 171.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 48.1 t80 -101.12 -25.05 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.1 mt -98.62 -57.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.6 p -89.97 -11.76 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.4 m-20 51.17 47.37 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -103.96 157.51 33.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.39 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 76.4 p -77.39 -26.48 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.69 23.02 64.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 36.56 57.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -112.07 127.15 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -148.48 122.12 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -105.21 146.47 32.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.62 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -53.18 -41.96 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 35.5 mt-10 -58.71 -61.48 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 14' ' ' ILE . 9.4 tp -34.68 -51.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.623 ' HE2' HD23 ' A' ' 69' ' ' LEU . 39.4 mmt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.63 0.729 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.56 59.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -102.56 -37.37 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.2 ptt85 -131.64 169.85 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t -67.59 162.17 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.95 -30.65 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 41' ' ' CYS . 48.4 mt -64.42 -38.96 83.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -115.28 -16.75 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mmm-85 66.72 37.36 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -126.35 171.43 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.03 131.26 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.5 m-85 -55.64 110.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.6 103.53 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 60.27 52.46 3.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.79 144.18 53.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 15.3 m -123.13 141.08 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.1 p -87.93 137.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -112.29 178.27 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.22 -30.08 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.63 10.98 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 58.07 49.54 11.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 50.7 m170 -129.6 160.0 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -122.3 146.72 47.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.88 144.09 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.2 m -53.74 128.24 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -38.85 -32.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -81.41 -46.24 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' HD13 ' A' ' 20' ' ' ILE . 52.4 m -59.89 -46.26 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.634 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.93 -48.81 78.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.26 -60.36 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.51 -55.35 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 41.0 t60 -60.32 -38.11 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -55.67 -42.53 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -54.85 -57.93 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.85 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 49' ' ' THR . 5.5 t -130.87 116.89 17.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.144 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -115.64 165.09 13.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.9 t -58.69 168.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 13.1 t80 -100.18 -17.39 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.7 mt -105.93 -58.24 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 57' ' ' GLN . 29.5 p -94.38 -6.11 44.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-20 48.04 46.2 19.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 55' ' ' CYS . 5.8 mt-30 -87.72 156.73 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.4 p -74.26 -42.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.21 34.03 66.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.75 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -110.62 132.75 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 88.7 m-85 -156.8 121.16 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -103.69 145.77 31.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.9 5.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.82 41.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -51.23 -43.05 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.13 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -37.82 -55.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.512 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.9 mmt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.642 0.734 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.67 62.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -103.6 -38.32 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -129.88 160.86 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.5 t -60.13 161.14 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.671 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.59 -29.66 7.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.586 HG12 ' CD2' ' A' ' 53' ' ' TYR . 58.5 mt -66.34 -33.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.497 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 11.6 p -119.87 -14.64 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 64.81 29.0 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -117.85 168.8 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.91 130.77 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -52.93 112.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -109.89 105.67 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 55.93 53.11 7.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.82 143.63 51.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -122.66 141.12 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -88.23 129.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -104.33 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -63.07 -28.24 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -79.84 10.97 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 58.42 43.16 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 51.6 m170 -124.5 162.99 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.66 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.6 m-85 -124.48 146.61 48.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -154.86 143.29 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.57 129.5 29.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -40.2 -33.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -80.57 -47.97 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.8 m -57.75 -47.85 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.15 73.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.29 -56.83 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -50.34 -55.24 16.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -56.54 -38.95 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -60.38 -36.87 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -48.35 -55.79 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.62 -63.27 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 49' ' ' THR . 13.2 t -111.21 117.14 50.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.15 3.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -100.13 178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.45 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.9 t -73.42 169.36 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 20' ' ' ILE . 25.4 t80 -100.97 -18.27 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.671 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.7 mt -104.21 -56.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.56 -7.82 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.5 t70 46.43 51.19 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -98.99 157.33 34.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.39 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 62' ' ' ILE . 44.5 p -66.81 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.15 35.96 71.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.52 36.05 92.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 59' ' ' THR . 68.2 mt -109.57 134.04 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -154.16 117.85 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.62 146.08 31.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 109.9 2.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -87.4 40.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -48.89 -50.45 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -48.36 -57.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD22 ' CD1' ' A' ' 36' ' ' TYR . 9.2 tp -41.09 -55.76 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.552 ' HE2' HD23 ' A' ' 69' ' ' LEU . 35.9 mmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -112.54 83.75 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 p -153.26 137.47 16.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.49 108.21 0.28 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -106.39 161.56 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -143.65 153.54 42.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.58 -178.41 37.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -164.55 -161.3 13.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' CB ' ' OE1' ' A' ' 10' ' ' GLU . 39.9 m -80.31 -53.57 6.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.846 0.355 . . . . 0.0 110.869 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -150.46 137.34 19.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -52.01 102.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -132.44 89.5 2.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -82.2 40.2 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.7 mt -95.4 134.57 24.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' A' ' 14' ' ' ILE . 54.0 Cg_endo -69.74 162.16 43.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -110.57 -36.46 5.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -132.7 164.38 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.6 t -61.12 161.01 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -112.55 -28.58 7.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 41' ' ' CYS . 86.4 mt -67.82 -35.17 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.0 p -118.29 -14.19 9.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 64.7 35.06 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.69 174.9 6.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.69 127.94 34.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.9 m-85 -51.49 111.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -109.99 102.13 10.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.4 m-20 61.09 52.55 2.64 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.742 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.78 142.68 48.49 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.76 139.06 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.627 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.9 p -88.01 133.81 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -109.11 178.13 4.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -62.74 -27.26 69.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.8 p -81.36 12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 56.09 46.59 21.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.9 m170 -128.14 160.0 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.876 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.8 m-85 -123.05 147.53 46.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.79 141.16 18.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.6 m -50.48 128.64 20.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -39.69 -31.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -82.55 -43.24 17.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' CYS . 51.2 m -63.51 -43.62 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.94 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.7 mt -70.48 -51.39 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.91 -53.56 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 31.0 t60 -58.5 -45.24 89.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -51.72 -41.9 61.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -54.08 -57.74 9.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.59 -55.77 13.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 49' ' ' THR . 10.2 t -120.4 121.65 29.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -3.95 13.04 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.97 179.78 4.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -75.46 169.13 18.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -98.28 -15.63 19.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 59.4 mt -109.56 -55.09 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.0 p -93.52 -8.54 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 29.7 m-20 45.41 50.04 10.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -104.58 157.98 32.96 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.595 0.712 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.82 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.646 2.231 . . . . 0.0 112.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.9 p -63.28 -37.52 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.19 35.99 63.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.59 37.2 93.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.2 mt -111.91 136.81 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -156.71 128.87 7.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 3.6 m-80 -112.22 145.83 33.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.664 0.745 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 110.03 2.45 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.627 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -88.7 36.59 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -52.75 -38.06 60.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.22 -39.18 85.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.876 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.9 tp -60.4 -46.59 89.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.747 ' HA ' HD12 ' A' ' 73' ' ' LEU . 38.9 mmt -62.66 -43.91 97.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.75 -57.21 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -44.61 -48.32 10.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 70' ' ' MET . 23.6 mt -50.47 -54.3 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -48.22 159.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE2' ' N ' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -60.5 -49.98 75.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.6 t -42.91 -70.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 125.32 -100.8 0.61 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 160.72 48.64 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.8 t -120.46 89.69 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.8 t -121.94 80.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.488 -179.995 . . . . . . . . 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 1.452 -0.284 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -161.39 159.87 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -148.48 153.17 38.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.82 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.539 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -115.79 80.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 p -108.71 165.93 11.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.73 90.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.87 42.06 0.42 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.3 p -51.63 148.39 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -166.05 131.94 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -132.9 49.65 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -140.56 118.47 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -81.62 28.67 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -95.52 131.34 29.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.04 58.36 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -106.59 -38.17 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -129.26 164.72 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -62.05 162.01 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.91 -29.98 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.497 HD12 ' HB3' ' A' ' 41' ' ' CYS . 85.3 mt -66.72 -34.38 69.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.5 p -118.89 -14.47 9.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 64.86 29.32 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -118.19 173.53 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.551 ' HB3' HE22 ' A' ' 26' ' ' GLN . . . -54.41 136.18 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.2 m-85 -59.92 113.83 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.551 HE22 ' HB3' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -111.79 99.49 8.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 62.94 52.64 1.68 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.7 142.38 48.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.736 2.29 . . . . 0.0 112.369 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.0 m -121.33 141.84 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG13 ' HB2' ' A' ' 64' ' ' ASN . 7.2 p -88.06 130.91 36.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -104.75 178.16 4.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -63.27 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.2 p -80.21 12.35 2.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 57.06 47.36 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.6 m170 -128.34 161.82 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 1.068 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -123.27 145.56 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.895 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.46 142.95 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 27.7 m -52.1 129.88 28.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -39.88 -34.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.1 t -79.42 -45.77 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.6 m -60.51 -44.9 95.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -50.51 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 mt -68.38 -60.2 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -47.61 -52.72 16.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.3 t60 -62.24 -44.81 95.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -50.47 -40.95 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -53.38 -56.79 13.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.47 -62.71 1.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 49' ' ' THR . 11.3 t -109.37 117.53 52.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 3.57 2.7 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.392 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -113.24 177.13 4.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.48 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.7 t -69.67 169.17 13.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 7.9 t80 -100.36 -18.06 16.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 50.9 mt -104.77 -58.55 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.09 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.01 -5.45 44.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 9.2 m-20 45.58 50.67 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -96.17 158.68 33.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.708 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.63 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.4 p -72.09 -41.77 66.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.77 35.08 89.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.15 37.63 91.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -113.71 137.24 47.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.547 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 93.7 m-85 -156.08 124.31 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.586 ' HB2' HG13 ' A' ' 30' ' ' VAL . 7.7 m120 -105.16 145.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 127.61 14.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.357 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.476 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -109.43 43.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -59.17 -30.58 68.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -68.43 -48.0 65.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.068 HD22 ' CE1' ' A' ' 36' ' ' TYR . 8.7 tp -51.91 -45.35 64.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.1 mmt -62.91 -53.26 56.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.2 -44.15 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -59.17 -55.99 27.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.1 mt -52.1 -52.93 48.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -70.67 158.41 36.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -115.97 89.34 3.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.8 m -83.8 -54.56 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.97 -155.16 16.23 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 113.73 3.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 m -51.4 163.09 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.7 m -120.74 153.9 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.527 179.95 . . . . . . . . 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 -0.343 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -83.87 117.03 23.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -50.14 -52.1 37.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.98 -150.0 20.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -125.37 80.41 1.88 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -118.56 159.98 22.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.36 151.98 6.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.53 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.39 112.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -122.64 126.74 48.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -116.63 18.34 15.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 42.12 52.65 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -122.33 81.45 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' ILE . 28.6 tt0 -68.98 -33.29 73.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 15' ' ' PRO . 71.9 mt -36.47 134.95 0.59 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.63 0.729 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.72 157.06 61.78 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -103.16 -38.8 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -132.3 163.77 27.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.4 t -60.44 162.23 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -112.13 -30.22 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.578 HD12 ' HB3' ' A' ' 41' ' ' CYS . 87.1 mt -65.98 -37.46 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.502 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -116.5 -14.4 10.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 63.87 35.09 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -122.74 171.34 9.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.2 129.13 27.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.0 m-85 -51.71 108.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -108.03 111.08 22.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.474 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.7 m-20 52.49 52.18 10.59 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.76 148.95 66.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.3 m -131.01 142.66 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.19 135.0 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.0 p -108.24 178.05 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.192 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -64.14 -27.45 69.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.2 p -81.72 11.58 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 58.75 44.96 16.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.617 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.3 m170 -125.93 162.27 25.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.777 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -124.7 145.08 49.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.627 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.5 143.85 22.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.5 m -53.16 129.5 31.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -38.59 -35.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -78.99 -46.09 18.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.578 ' HB3' HD12 ' A' ' 20' ' ' ILE . 52.9 m -59.7 -43.72 93.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.99 -52.67 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.78 -56.76 11.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -50.45 -51.96 42.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 27.5 t60 -63.3 -37.58 87.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -59.26 -38.47 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -57.21 -56.76 17.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.26 -57.16 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' CE1' ' A' ' 45' ' ' HIS . 1.9 t -116.93 118.24 36.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.15 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.74 2.58 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.344 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -110.54 176.78 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -71.04 170.49 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 33.9 t80 -99.82 -21.56 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 58.9 mt -102.12 -58.15 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.0 p -90.87 -9.76 45.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.9 m-20 48.22 49.29 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.92 156.53 35.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -67.37 -41.19 85.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.54 33.92 46.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.2 40.66 99.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.47 129.9 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.531 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 85.5 m-85 -151.02 114.77 4.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -99.79 146.07 31.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 118.65 5.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.38 41.33 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -49.91 -46.36 51.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -56.82 -52.49 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.777 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.5 tp -46.58 -50.91 16.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.427 ' HE2' ' HG ' ' A' ' 69' ' ' LEU . 34.9 mmt -65.39 -44.0 88.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.66 -47.58 29.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -63.53 -46.35 86.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' MET . 19.1 mt -58.7 -58.3 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.946 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.38 120.26 31.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -49.32 9.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.8 t -112.33 109.52 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.4 -84.7 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 90.1 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.315 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -56.96 -24.76 55.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.1 t -84.9 82.55 8.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.502 -179.993 . . . . . . . . 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 -0.368 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -142.59 142.67 32.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -165.8 170.79 13.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.3 153.38 21.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.41 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -170.03 140.24 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -108.26 168.0 9.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.99 149.41 21.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.435 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.21 129.35 4.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -130.65 102.45 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -96.4 175.99 6.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -143.26 111.05 5.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.9 tm-20 -130.0 94.36 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' ILE . 51.8 mm-40 -86.14 -28.58 23.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.582 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.8 mt -36.92 136.25 0.6 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.591 0.71 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.582 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.8 158.0 58.41 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -105.3 -35.68 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 2.3 ptt-85 -131.55 165.7 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.578 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.6 t -64.25 161.48 16.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.667 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.8 OUTLIER -112.4 -29.41 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.405 HG12 ' CD2' ' A' ' 53' ' ' TYR . 74.7 mt -66.55 -31.76 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 17.7 p -122.94 -13.59 7.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 26.6 mmt180 62.76 36.77 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.5 mm-40 -124.64 169.94 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.83 125.56 15.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -49.76 109.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -107.71 108.23 19.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 55.19 52.67 8.37 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.4 Cg_endo -69.79 148.36 64.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -127.43 140.21 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.05 132.52 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.7 p -106.44 178.3 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.1 p -82.65 13.2 3.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 56.78 45.63 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.7 m170 -126.84 160.74 30.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.732 ' CD1' HD22 ' A' ' 69' ' ' LEU . 8.6 m-85 -122.65 147.67 46.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.92 142.75 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.1 m -53.83 129.39 33.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -40.76 -31.79 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -81.74 -46.76 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.7 m -58.86 -48.07 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.11 -49.33 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.2 mt -68.06 -60.99 2.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -49.28 -53.28 22.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.59 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 29.2 t60 -62.08 -42.3 99.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -50.07 -48.26 53.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.7 mtt180 -47.58 -51.24 21.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.27 -53.87 15.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 49' ' ' THR . 9.7 t -120.14 117.56 31.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.594 0.712 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 2.89 3.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.337 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -116.62 173.97 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.4 t -63.11 170.4 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 45.2 t80 -101.8 -23.9 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.667 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.5 mt -98.63 -56.67 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 28.9 p -92.24 -10.93 36.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.9 OUTLIER 48.99 49.78 18.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -102.29 157.65 33.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 88.48 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.388 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 78.5 p -67.45 -37.91 83.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.13 32.7 65.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.33 35.58 91.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.531 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -109.92 128.7 65.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -152.64 122.98 7.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -108.89 145.98 32.82 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 114.25 3.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.96 39.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -49.55 -39.59 35.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' LEU . 6.9 mp0 -58.75 -57.99 10.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.732 HD22 ' CD1' ' A' ' 36' ' ' TYR . 7.9 tp -37.0 -50.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.402 ' SD ' ' HG3' ' A' ' 28' ' ' PRO . 39.1 mmt -60.12 -47.46 85.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.44 -36.79 4.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -67.55 -48.68 66.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.57 -50.37 73.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -167.78 127.1 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -55.89 107.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 m -52.23 115.01 1.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.38 153.62 1.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.679 2.252 . . . . 0.0 112.335 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -91.48 -58.33 2.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.5 t -171.64 140.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.514 179.983 . . . . . . . . 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 -0.312 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -62.49 91.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -138.93 160.39 39.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.7 162.85 35.09 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -107.6 108.56 19.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.6 p -104.25 97.68 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.46 -165.97 13.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 65.46 41.44 96.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -56.78 -56.32 23.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -107.5 133.6 51.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -95.23 120.38 35.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -69.34 101.17 1.47 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -83.22 35.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.453 HG23 ' HD2' ' A' ' 15' ' ' PRO . 74.6 mt -96.74 133.12 24.89 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.4 Cg_endo -69.78 157.56 59.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -103.74 -39.23 6.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -132.0 163.43 28.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.2 t -61.66 162.11 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.92 -29.6 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 58.1 mt -66.38 -34.69 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.4 p -119.38 -13.43 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 63.14 33.37 14.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -120.74 174.8 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.46 125.95 25.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.9 m-85 -48.19 112.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.56 106.6 15.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.1 m-20 56.06 52.46 7.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.676 0.75 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.77 143.24 50.2 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 m -122.32 142.2 39.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -88.58 131.7 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -105.34 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -63.37 -27.96 69.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.5 p -80.22 10.93 3.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 58.93 42.82 18.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.3 m170 -123.74 163.56 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.946 ' CE1' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -125.5 147.02 49.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.46 142.31 19.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.3 m -50.5 131.7 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -41.34 -35.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.7 t -79.05 -46.99 17.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -58.43 -48.44 80.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.85 29.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.8 mt -59.82 -56.46 21.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.95 -57.1 10.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.617 ' NE2' HG21 ' A' ' 49' ' ' THR . 12.0 t60 -55.46 -45.32 76.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -50.16 -44.21 52.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp85 -53.03 -55.87 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.849 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.83 -60.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.617 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.7 t -109.68 116.68 53.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.562 0.696 . . . . 0.0 111.16 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 2.92 3.13 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.1 mtt180 -116.14 172.23 7.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.409 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.8 t -65.49 170.18 5.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.56 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 54.7 t80 -101.42 -22.65 14.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.685 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.1 mt -100.43 -55.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.4 p -92.03 -11.48 35.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 m-20 49.41 48.81 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -103.42 156.83 34.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 89.2 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.4 p -67.91 -41.25 82.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.2 35.03 54.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.36 41.14 99.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.441 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.97 128.54 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -151.77 124.79 8.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -109.33 145.95 32.92 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.614 0.721 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 110.93 2.68 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.86 41.83 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -46.18 -42.76 14.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' LEU . 69.5 mm-40 -56.2 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD22 ' CE1' ' A' ' 36' ' ' TYR . 55.4 tp -35.1 -51.1 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.641 ' HE1' ' HG ' ' A' ' 69' ' ' LEU . 32.4 mmt -64.9 -49.49 70.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.26 -41.17 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -62.94 -47.28 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' GLN . 40.0 mt -56.42 -58.24 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' LEU . 15.8 tt0 -37.74 -71.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -175.23 141.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -72.66 159.33 34.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.18 70.91 1.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.541 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 144.7 55.36 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.8 t -81.23 80.63 7.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -138.1 176.62 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.502 -179.939 . . . . . . . . 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 -0.309 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p 38.35 41.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -90.61 122.35 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.03 92.44 0.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 m -114.31 170.16 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -146.5 150.36 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.84 178.16 24.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.72 165.85 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.0 t -105.98 135.0 48.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -71.48 110.15 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -97.18 27.67 4.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' ILE . 12.8 tt0 -112.02 41.04 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 12' ' ' GLU . 2.1 tp10 -35.05 -34.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 15' ' ' PRO . 73.0 mt -37.44 135.91 0.7 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.66 0.743 . . . . 0.0 111.104 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.77 153.69 68.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.339 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -101.27 -38.27 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -131.63 163.31 28.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.5 t -61.34 161.47 9.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.52 -29.22 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 65.0 mt -66.97 -36.44 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.3 p -117.07 -14.22 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 64.33 32.51 12.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.0 mm-40 -119.87 175.44 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.91 126.38 27.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.36 110.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -109.16 102.14 11.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 4.7 m-20 61.34 52.54 2.5 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.3 Cg_endo -69.78 145.19 56.28 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.72 2.28 . . . . 0.0 112.31 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 63' ' ' PHE . 20.4 m -125.54 141.75 44.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.78 134.49 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.8 p -109.71 178.2 4.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -62.9 -27.71 69.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' HB3' ' NE2' ' A' ' 57' ' ' GLN . 6.0 p -81.98 12.83 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 56.59 44.47 23.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 49.8 m170 -124.24 161.51 25.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.631 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -124.79 143.55 50.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.51 143.61 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.0 m -51.62 129.7 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -39.13 -34.77 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.2 t -79.55 -45.27 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.4 m -60.51 -45.42 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.817 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.14 -52.26 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.07 -57.79 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -48.45 -53.62 17.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 15.0 t60 -61.47 -40.1 93.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -56.3 -40.61 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -54.28 -54.85 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -59.56 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 49' ' ' THR . 6.3 t -112.4 117.24 47.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.555 0.693 . . . . 0.0 111.143 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 3.23 2.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.313 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.4 mtt-85 -111.52 176.24 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.465 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.4 t -69.73 169.97 11.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.5 t80 -100.75 -18.37 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.5 mt -104.77 -58.22 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.4 p -94.07 -6.56 44.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.465 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 5.2 m-20 48.67 49.07 19.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.432 ' NE2' ' HB3' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -98.3 153.2 38.15 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 86.32 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 82.5 p -66.71 -35.8 80.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.7 37.7 89.23 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.51 40.38 99.03 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.5 mt -115.69 128.05 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 111.091 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.464 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 63.8 m-85 -152.42 120.82 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -105.92 146.03 32.07 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.47 5.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.88 40.06 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -45.07 -46.88 11.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 10.1 tp10 -53.02 -62.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD22 ' CE1' ' A' ' 36' ' ' TYR . 17.4 tp -34.35 -49.45 0.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.469 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 37.5 mmt -64.25 -46.09 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' GLU . . . -53.44 -39.11 64.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.09 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -63.61 -51.72 64.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt -45.33 -44.59 11.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -125.82 115.46 20.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.06 -2.66 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.5 p -106.1 178.91 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.26 139.59 2.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 1.23 4.61 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.0 m -92.25 80.44 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 10.2 m -122.32 40.7 3.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.486 179.987 . . . . . . . . 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 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 t -126.99 102.58 7.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.807 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -85.67 -59.71 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.25 145.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 m -150.79 143.36 24.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -157.23 142.25 16.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.88 -90.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.432 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 137.84 14.53 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -111.72 129.53 56.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.82 0.343 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 24.9 pm0 -119.33 138.07 53.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -134.29 46.46 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -158.17 111.99 2.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' ILE . 11.4 pt-20 -69.45 -33.72 73.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' GLU . 97.3 mt -34.12 130.35 0.43 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.642 0.734 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.91 32.78 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -109.13 -37.04 5.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -135.73 163.52 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.4 t -60.48 162.23 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.05 -30.48 7.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 72.2 mt -66.04 -35.68 75.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.6 p -117.56 -15.77 10.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 65.02 34.22 9.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.24 172.73 8.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.3 126.9 24.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 7.9 m-85 -49.86 112.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -110.28 103.95 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 58.09 52.97 5.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.478 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.7 Cg_endo -69.74 146.18 59.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.715 2.276 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.0 m -124.74 140.52 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 p -88.44 134.85 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 p -110.88 177.62 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 62' ' ' ILE . 30.0 mtmt -61.33 -28.4 69.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -80.87 12.84 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.9 mmp_? 55.42 44.94 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -125.08 161.04 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.945 ' CE1' HD22 ' A' ' 69' ' ' LEU . 12.1 m-85 -123.25 146.92 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.65 142.91 20.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.6 m -53.05 128.93 29.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -38.66 -34.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.4 t -79.46 -46.29 17.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.7 m -59.74 -47.8 84.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.76 -48.27 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.64 -58.45 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -50.28 -50.93 48.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 23.2 t60 -60.23 -41.39 93.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -54.34 -41.4 69.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -54.38 -62.0 1.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.93 -57.46 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.451 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.6 t -117.64 117.58 35.85 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.541 0.686 . . . . 0.0 111.187 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.277 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -112.35 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -67.19 170.36 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.4 t80 -100.74 -21.89 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.688 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.9 mt -100.63 -58.78 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.3 p -91.41 -9.81 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.425 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 23.8 m-20 49.59 49.6 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -101.87 156.65 34.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.913 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 89.42 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.0 p -69.38 -33.57 73.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.87 37.54 92.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.55 39.13 96.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 ' HE2' ' A' ' 32' ' ' LYS . 84.2 mt -113.39 135.47 52.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.478 ' HB3' HG21 ' A' ' 29' ' ' VAL . 76.6 m-85 -157.16 114.71 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -97.27 145.88 30.4 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.594 0.712 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 110.19 2.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.359 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.43 42.18 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -51.52 -46.59 63.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -55.14 -56.22 22.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.945 HD22 ' CE1' ' A' ' 36' ' ' TYR . 23.9 tp -39.11 -54.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.603 ' HE2' HD12 ' A' ' 73' ' ' LEU . 35.2 mmt -63.08 -46.98 84.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.68 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -76.75 -46.54 24.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.603 HD12 ' HE2' ' A' ' 70' ' ' MET . 59.5 mt -52.76 -57.73 9.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -111.97 160.38 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -136.07 158.97 43.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.8 t 59.2 41.98 19.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.1 -176.98 49.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 150.53 68.29 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.6 p -109.16 169.0 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.4 p -66.0 167.2 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.491 -179.997 . . . . . . . . 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 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -131.43 157.13 44.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -89.54 141.94 28.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.85 103.43 0.33 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -125.78 124.87 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -68.98 135.09 50.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.18 129.65 9.93 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.67 100.35 1.96 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -74.07 106.79 5.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -100.72 125.9 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -84.46 102.51 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -138.82 105.09 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 2.7 pp20? -67.77 -41.06 83.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 15' ' ' PRO . 84.3 mt -34.57 137.36 0.36 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.61 0.719 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.8 162.15 43.21 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -105.95 -37.14 6.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.5 ptp85 -135.72 161.51 35.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -57.98 161.82 3.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.84 -30.42 7.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.529 HG12 ' CD2' ' A' ' 53' ' ' TYR . 69.1 mt -65.49 -36.98 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 14.1 p -116.76 -14.56 10.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 64.19 35.13 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -122.34 175.22 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.22 126.24 26.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.9 m-85 -49.39 111.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -109.44 105.65 15.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 57.05 52.8 6.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.622 0.725 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.82 141.4 44.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.715 2.277 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.0 m -120.52 141.91 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.44 134.88 26.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 p -109.46 178.05 4.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.186 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -63.16 -27.74 69.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 p -82.26 14.84 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 54.67 45.58 26.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.2 m170 -125.6 162.45 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.578 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -125.51 146.67 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.64 142.11 19.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.3 m -51.1 129.32 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -38.88 -33.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.7 t -81.22 -44.63 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -61.52 -44.24 97.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -59.91 -48.34 82.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.67 -57.87 5.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -49.22 -49.1 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.6 t60 -67.33 -33.88 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.26 -45.38 94.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -52.61 -57.0 11.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.04 -54.17 29.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.082 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.6 t -123.52 118.64 27.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.105 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 2.65 3.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.699 2.266 . . . . 0.0 112.39 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -106.94 175.55 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.2 t -71.18 169.64 14.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 60.7 t80 -98.7 -19.59 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.691 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.1 mt -105.42 -58.68 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.6 p -93.38 -4.0 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 p-10 42.53 49.13 4.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -95.83 158.43 34.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 85.12 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.464 ' O ' HD12 ' A' ' 62' ' ' ILE . 63.2 p -67.72 -40.12 84.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.27 37.95 87.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.99 41.33 99.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 59' ' ' THR . 69.6 mt -114.43 129.59 70.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.82 0.343 . . . . 0.0 111.129 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.437 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 69.2 m-85 -153.65 122.06 6.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -106.92 145.87 31.98 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 115.95 4.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.254 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.77 41.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.074 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -52.35 -40.13 61.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -59.93 -47.68 84.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD23 ' HE3' ' A' ' 70' ' ' MET . 7.3 tp -49.11 -50.16 38.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.729 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.2 mmt -62.97 -44.75 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.83 -44.56 19.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.137 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -63.58 -49.66 72.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD12 ' HE2' ' A' ' 70' ' ' MET . 82.3 mt -51.63 -53.01 43.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -67.4 172.0 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -96.52 -48.16 5.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -104.2 -60.07 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.81 -176.76 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.0 34.46 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.3 t -67.93 141.52 56.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -165.99 157.49 13.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.504 -179.972 . . . . . . . . 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 1.452 -0.285 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -108.75 127.17 53.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 m -102.59 85.81 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.5 -77.29 1.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.7 p -120.65 111.42 17.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.362 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -59.58 -43.26 93.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.15 44.03 10.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.64 121.24 12.24 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.516 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.8 p -113.67 169.24 9.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.865 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -108.19 82.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 39.15 46.42 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.68 79.78 8.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' O ' ' C ' ' A' ' 14' ' ' ILE . 13.6 tp10 -61.69 -38.69 88.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.48 HG23 ' HD2' ' A' ' 15' ' ' PRO . 87.2 mt -33.27 133.7 0.32 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.623 0.725 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.82 158.9 55.32 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.64 2.227 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -104.61 -38.2 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -132.4 160.95 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 46.0 t -58.24 161.57 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.93 -29.08 7.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 53.7 mt -66.82 -36.22 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.5 p -117.58 -14.92 10.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.98 35.81 7.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 3.1 mm-40 -123.2 174.38 7.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.05 128.53 35.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 6.1 m-85 -50.46 107.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -106.79 107.28 18.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.5 m-20 55.9 52.88 7.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.2 Cg_endo -69.78 141.69 45.82 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.266 . . . . 0.0 112.302 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 30.8 m -121.14 141.47 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -87.71 132.04 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.6 p -105.79 178.17 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -63.54 -29.21 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.6 p -80.67 13.85 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 56.73 44.74 23.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.615 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.1 m170 -124.47 161.74 25.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.919 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.2 m-85 -124.29 145.69 49.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.615 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -153.77 144.95 22.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.2 m -52.71 130.43 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -40.96 -33.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -80.57 -45.76 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.1 m -60.03 -47.44 85.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.03 -47.77 80.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.83 -60.84 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -49.46 -55.67 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 25.1 t60 -58.58 -40.98 84.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -54.51 -42.93 71.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -53.71 -54.44 37.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.91 -57.74 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.8 t -114.02 117.79 43.32 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.701 2.267 . . . . 0.0 112.386 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -115.77 175.4 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.3 t -66.47 171.62 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 36.1 t80 -101.78 -24.14 14.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.68 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 63.0 mt -99.79 -56.9 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -92.15 -9.36 42.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 34.9 t70 50.16 46.06 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -98.39 154.88 37.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 93.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 69.9 p -74.6 -23.36 58.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 56.86 33.94 64.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.09 40.28 95.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.2 mt -112.84 129.54 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.493 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 77.4 m-85 -150.77 118.62 6.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -106.08 145.85 31.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.19 3.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.439 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -91.5 39.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.079 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -41.29 23.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -58.0 -53.72 55.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.919 HD22 ' CD1' ' A' ' 36' ' ' TYR . 15.5 tp -45.45 -46.19 13.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 36.1 mmt -67.55 -47.93 68.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.86 -38.39 10.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.09 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -64.12 -51.58 63.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.9 mt -54.38 -54.75 36.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -87.77 117.18 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -44.37 132.18 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.9 t -105.29 -61.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.92 -158.35 14.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 164.77 33.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.4 t 62.82 44.28 6.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 t -56.03 -46.58 78.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.471 -179.984 . . . . . . . . 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 -0.338 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -137.67 120.7 16.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 m -150.94 143.36 24.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.08 -110.94 3.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -78.68 163.38 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.923 0.392 . . . . 0.0 110.801 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -145.09 147.37 32.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.39 58.07 0.65 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.19 -175.46 16.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.466 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 73.68 53.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.2 130.22 47.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -104.3 38.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -103.93 76.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -104.36 42.38 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.523 HG23 ' HD2' ' A' ' 15' ' ' PRO . 79.4 mt -90.61 134.81 30.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.652 0.739 . . . . 0.0 111.118 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.7 Cg_endo -69.83 162.76 40.86 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.352 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -108.64 -35.69 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -135.29 162.69 31.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.2 t -60.44 162.07 6.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -112.87 -29.26 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.459 HD13 ' HB3' ' A' ' 41' ' ' CYS . 42.2 mt -67.39 -33.49 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.3 p -120.45 -11.64 9.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 61.67 32.88 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.62 172.64 7.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 132.28 42.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -54.69 110.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -109.73 107.45 17.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.481 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 56.66 51.81 5.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 54.1 Cg_endo -69.69 144.82 55.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 31.1 m -125.04 141.14 46.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 30' ' ' VAL . 8.1 p -88.23 130.65 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.3 p -104.68 178.42 4.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -64.05 -27.22 68.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.7 p -81.77 13.06 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 56.81 45.08 22.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.3 m170 -125.82 161.59 27.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.765 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.5 m-85 -124.63 144.73 50.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -152.99 143.77 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.0 m -52.43 129.24 28.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -40.22 -32.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.3 m -81.37 -46.92 13.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.459 ' HB3' HD13 ' A' ' 20' ' ' ILE . 54.9 m -59.23 -44.54 92.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.95 -50.27 74.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.78 -55.39 17.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -52.52 -52.4 54.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.3 t60 -62.62 -40.45 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.46 -41.08 65.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 -55.89 -62.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.93 14.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.423 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.7 t -116.2 117.83 38.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 111.166 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.88 3.12 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.336 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -114.2 176.07 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -67.23 170.37 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.2 t80 -101.23 -21.44 14.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.675 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.5 mt -101.64 -56.41 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.5 p -91.38 -11.49 37.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 50.78 47.63 24.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -102.17 156.63 35.0 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.685 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 90.97 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.252 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 p -68.17 -40.09 82.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.88 35.97 61.46 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.85 39.44 97.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.459 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.5 mt -116.16 126.17 73.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.891 0.377 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 87.4 m-85 -148.06 115.68 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -98.21 145.81 30.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.717 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.02 10.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.59 40.16 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -52.67 -42.49 64.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.97 -49.77 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.765 HD22 ' CE1' ' A' ' 36' ' ' TYR . 6.9 tp -45.81 -46.61 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 28' ' ' PRO . 32.1 mmt -65.38 -41.13 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.42 -42.64 54.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -60.2 -52.18 66.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.84 -43.24 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -163.03 148.17 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.3 114.02 13.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.3 m -96.5 113.8 25.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 78' ' ' PRO . . . -95.14 112.45 4.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' ' HA2' ' A' ' 77' ' ' GLY . 54.2 Cg_endo -69.76 -1.88 9.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.3 m -71.19 104.75 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.8 m -84.17 -58.75 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.484 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 59.7 p 36.57 41.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.89 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -95.85 42.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.6 152.05 22.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.9 p -134.08 147.62 50.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.906 0.384 . . . . 0.0 110.834 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -98.51 120.19 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.06 -161.94 10.61 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.35 42.19 6.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.497 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 80.1 p -59.14 90.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.61 127.35 33.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -129.78 82.58 2.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -114.93 82.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.87 -35.67 79.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -39.58 127.9 1.45 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.618 0.723 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 158.35 57.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.318 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -105.26 -38.06 6.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -127.97 166.48 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 42.1 t -65.98 162.02 20.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.73 -30.72 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 81.0 mt -65.1 -36.54 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.9 p -116.96 -14.7 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 64.7 32.68 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -120.99 173.7 7.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.79 126.35 25.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 4.1 m-85 -50.01 112.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -110.18 106.14 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.6 m-20 56.59 52.73 6.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.576 0.703 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.73 143.89 52.43 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.751 2.301 . . . . 0.0 112.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 m -122.05 141.49 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.2 p -88.5 128.83 40.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 p -102.88 177.74 4.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -62.46 -27.76 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.1 p -80.55 11.22 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 58.06 43.48 20.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.608 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.1 m170 -124.78 160.7 28.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 1.032 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.7 m-85 -121.66 146.51 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -154.32 142.78 20.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.847 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.1 m -52.69 128.8 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -39.03 -34.5 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -79.37 -46.12 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 53.6 m -59.86 -45.86 91.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.72 -43.89 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 80.5 mt -72.39 -61.25 1.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -48.52 -52.46 22.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.6 t60 -60.38 -47.99 83.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -48.08 -40.73 24.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -53.8 -58.96 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.83 6.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 49' ' ' THR . 9.7 t -114.06 116.93 44.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.126 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.61 2.67 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.62 2.213 . . . . 0.0 112.348 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 mtt-85 -114.68 174.73 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.3 t -66.2 170.1 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 26.1 t80 -100.69 -22.67 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.647 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 52.3 mt -101.18 -56.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.21 -10.34 42.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 4.9 t70 48.35 49.03 18.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -104.43 157.07 34.88 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 92.26 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.645 2.23 . . . . 0.0 112.302 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -70.59 -31.11 67.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.31 38.8 97.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.72 39.0 96.85 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.6 mt -112.41 130.65 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.482 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 89.1 m-85 -152.31 110.13 3.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' HB2' HG13 ' A' ' 30' ' ' VAL . 2.3 m120 -95.78 145.88 30.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 123.93 10.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.232 . . . . 0.0 112.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.501 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -105.33 40.29 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.046 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -50.9 -40.07 55.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -59.98 -57.58 12.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.032 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.1 tp -39.2 -45.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.416 ' HE2' ' HG ' ' A' ' 69' ' ' LEU . 36.1 mmt -65.01 -52.17 57.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' MET . . . -36.7 -42.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -63.17 -59.4 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.71 -53.6 45.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -136.15 137.34 40.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 100.95 13.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.3 m -56.25 -45.89 79.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.817 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.24 176.17 14.37 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.528 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -34.11 15.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 2.267 . . . . 0.0 112.325 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 m -41.84 115.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -78.78 143.45 36.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.459 -179.97 . . . . . . . . 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 -0.352 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -140.95 138.76 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.935 0.398 . . . . 0.0 110.842 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -90.68 155.4 18.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.21 151.31 23.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -94.55 156.31 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -161.68 153.98 19.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.15 95.1 1.26 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.57 117.47 2.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.512 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -113.25 83.54 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -161.59 145.91 13.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -127.47 147.49 50.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.9 pm0 -120.11 103.68 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 14' ' ' ILE . 8.2 mt-10 -51.39 -39.97 58.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.0 mt -36.35 135.6 0.56 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 0.0 111.167 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.75 159.69 52.49 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -107.62 -37.67 6.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -133.6 162.9 30.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.1 t -58.68 162.11 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.99 -30.36 7.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.515 HG12 ' CG ' ' A' ' 53' ' ' TYR . 53.1 mt -65.93 -37.67 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.499 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -116.2 -14.21 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 63.11 36.5 12.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -124.09 170.95 10.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.84 126.09 17.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -48.06 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -106.64 107.5 18.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 m-20 56.43 52.93 7.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.5 Cg_endo -69.8 148.35 64.65 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 63' ' ' PHE . 28.4 m -129.99 139.96 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.5 p -87.79 128.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -101.84 177.91 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -64.16 -26.38 68.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.9 p -81.58 10.04 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.0 mmt-85 59.99 45.55 12.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 60.3 m170 -126.96 162.06 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.942 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -123.75 143.08 50.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.99 141.89 22.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.9 m -51.59 129.03 24.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -39.07 -35.24 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -78.75 -48.6 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 52.3 m -56.83 -45.92 82.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.588 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -58.27 -47.62 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.6 mt -66.94 -59.62 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -50.48 -49.87 54.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.947 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 38.0 t60 -62.35 -38.11 88.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -59.05 -39.81 83.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.6 mtt85 -56.14 -61.66 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.71 -50.74 67.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.7 t -126.07 117.53 23.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 0.0 111.133 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.63 3.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -106.68 175.2 5.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.491 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -69.33 168.73 13.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 22.4 t80 -97.3 -15.31 20.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.659 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 67.1 mt -111.54 -56.38 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.87 -2.33 50.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 0.3 OUTLIER 41.88 51.69 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -104.25 157.62 33.66 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 91.15 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.637 2.224 . . . . 0.0 112.376 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.2 p -68.27 -21.84 64.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.52 38.05 85.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.26 42.84 93.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.94 132.28 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.588 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 56.7 m-85 -150.93 118.72 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' VAL . 9.1 m120 -108.63 146.35 33.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.726 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 116.7 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.491 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -90.91 36.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -51.38 -51.61 53.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -47.28 -39.58 14.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.942 HD22 ' CE1' ' A' ' 36' ' ' TYR . 2.1 tp -70.8 -40.76 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -60.96 -34.73 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.02 -43.06 63.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -66.35 -59.55 3.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 ' HE3' ' A' ' 70' ' ' MET . 76.6 mt -52.49 -57.85 8.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -112.11 143.97 42.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -114.79 178.67 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.2 t -148.55 152.52 36.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -107.05 119.12 5.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 84.3 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.5 t -171.29 126.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.5 m -85.78 -59.46 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.51 -179.992 . . . . . . . . 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 -0.326 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -154.57 141.09 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 t -147.19 148.98 32.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.25 141.83 15.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -101.69 42.14 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -131.05 169.0 16.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.838 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.71 63.63 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.541 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.25 138.82 3.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -122.76 84.05 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -127.33 98.04 5.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.05 155.45 34.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -172.78 109.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -86.39 25.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.604 HG23 ' HD2' ' A' ' 15' ' ' PRO . 89.6 mt -92.78 136.68 24.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.604 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.6 Cg_endo -69.74 158.43 57.0 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 16' ' ' PHE . 9.2 t80 -107.01 -35.47 6.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -134.31 165.32 25.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.569 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 40.9 t -61.28 162.26 7.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.646 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -112.89 -30.84 6.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HB3' ' A' ' 41' ' ' CYS . 95.9 mt -66.68 -32.8 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.097 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.1 p -120.51 -15.46 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.0 mmm-85 64.3 36.31 9.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -123.61 173.26 8.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.91 123.59 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.074 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.569 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -46.19 110.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 25' ' ' PHE . 2.8 mm100 -107.81 106.45 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.4 m-20 54.81 53.74 9.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.497 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 53.2 Cg_endo -69.79 143.29 50.22 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.326 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.2 m -122.3 140.99 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.8 p -88.37 131.09 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -106.76 177.85 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -62.22 -28.57 69.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.9 p -79.05 9.27 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 59.23 42.84 17.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 54.1 m170 -124.15 162.87 22.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.861 ' CE1' HD22 ' A' ' 69' ' ' LEU . 7.9 m-85 -123.8 147.16 47.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.944 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -155.52 142.13 18.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.0 m -51.58 130.93 29.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -41.43 -32.7 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -81.39 -45.91 15.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.493 ' HB3' HD12 ' A' ' 20' ' ' ILE . 47.4 m -59.78 -48.13 82.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -56.51 -47.92 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.06 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.08 -59.49 3.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -49.7 -52.0 34.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 19.5 t60 -61.04 -41.87 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -54.41 -41.66 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -54.65 -57.98 9.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -57.93 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 HG21 ' NE2' ' A' ' 45' ' ' HIS . 1.8 t -115.7 117.33 40.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.575 0.702 . . . . 0.0 111.136 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 3.14 2.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -112.35 174.28 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.413 ' SG ' ' CZ ' ' A' ' 37' ' ' PHE . 10.1 t -67.99 170.21 8.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 20.4 t80 -101.44 -21.43 14.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.646 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 48.8 mt -100.8 -56.43 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.159 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.19 -11.56 35.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 11.4 t0 50.52 49.16 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -103.25 156.51 35.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 88.86 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.8 p -68.18 -40.22 82.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.67 34.97 59.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.05 39.46 96.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 86.0 mt -111.98 135.15 52.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.9 0.381 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 83.1 m-85 -157.19 126.08 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -111.36 145.76 33.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.645 0.736 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 113.97 3.55 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.347 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.458 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.42 40.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.045 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -50.49 -39.69 49.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.12 -57.43 12.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.861 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.4 tp -41.81 -45.93 3.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.592 ' HA ' HD12 ' A' ' 73' ' ' LEU . 36.8 mmt -61.12 -41.86 97.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.76 -57.38 11.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.04 -39.56 4.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.592 HD12 ' HA ' ' A' ' 70' ' ' MET . 74.7 mt -53.71 -56.86 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -144.37 105.78 4.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -53.77 -26.31 23.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 75' ' ' LYS . 4.0 t -113.86 100.88 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.56 -179.95 36.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 79' ' ' SER . 53.8 Cg_endo -69.74 118.32 5.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 78' ' ' PRO . 20.6 m -37.7 145.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.4 p -70.14 116.13 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.518 179.994 . . . . . . . . 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 -0.337 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 p -80.15 141.51 35.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.9 p -124.04 133.62 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.7 -170.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -160.85 150.33 17.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.895 0.379 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -113.8 91.62 3.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.27 -92.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.93 167.42 39.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -168.77 169.52 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 48.47 41.06 16.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' C ' ' OE1' ' A' ' 12' ' ' GLU . 10.8 pt-20 -70.89 168.47 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' OE1' ' C ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -109.49 88.83 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' ILE . 12.3 pt-20 -50.78 -41.95 57.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG23 ' HD2' ' A' ' 15' ' ' PRO . 98.4 mt -35.35 133.69 0.48 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.629 0.728 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.473 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.3 Cg_endo -69.8 157.67 59.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -104.2 -38.46 6.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -132.38 165.52 24.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 43.2 t -63.56 161.64 14.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.673 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.1 -30.26 7.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 66.7 mt -66.2 -30.97 51.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.462 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.8 p -122.44 -17.12 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 66.51 34.44 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -122.76 172.85 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.48 123.44 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.7 m-85 -44.72 112.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -108.55 106.79 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.1 m-20 53.19 54.13 12.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.503 ' HG3' ' CE ' ' A' ' 70' ' ' MET . 54.1 Cg_endo -69.78 146.61 60.59 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 28.7 m -127.89 141.68 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 30' ' ' VAL . 8.2 p -86.86 130.08 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 p -103.22 178.42 4.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 2.0 mptt -64.31 -26.83 68.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.3 p -82.19 11.97 4.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 58.26 47.29 14.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.9 m170 -129.5 161.63 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.965 ' CE1' HD22 ' A' ' 69' ' ' LEU . 13.6 m-85 -122.49 145.65 48.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.623 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.97 140.49 18.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.3 m -50.37 128.74 20.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -39.26 -29.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 38' ' ' CYS . 14.9 m -84.85 -49.53 8.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 57.8 m -58.13 -35.26 71.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.11 -55.65 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.94 -47.88 81.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 4.7 pt-20 -54.43 -45.79 73.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.488 ' CE1' HG21 ' A' ' 49' ' ' THR . 3.6 t60 -68.88 -44.56 73.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -51.2 -42.44 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -53.49 -59.02 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.76 -60.08 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.488 HG21 ' CE1' ' A' ' 45' ' ' HIS . 2.8 t -114.03 116.28 44.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.572 0.701 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 3.95 2.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.644 2.229 . . . . 0.0 112.369 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -108.03 175.17 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 9.7 t -69.93 171.0 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 28.3 t80 -100.13 -22.86 15.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.673 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 66.9 mt -101.38 -58.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 22.6 p -93.45 -6.08 47.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.4 m-20 44.71 49.04 8.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.07 156.2 36.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 83.49 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.1 p -61.68 -41.99 98.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.42 29.88 57.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.31 37.92 94.46 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.4 ' CG2' ' HZ3' ' A' ' 32' ' ' LYS . 70.8 mt -114.77 124.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -145.38 127.22 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 5.3 m120 -108.01 146.84 34.31 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.584 0.707 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.43 3.38 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.317 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.84 40.56 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -52.64 -39.13 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -60.98 -57.64 11.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.965 HD22 ' CE1' ' A' ' 36' ' ' TYR . 12.6 tp -38.77 -45.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.56 ' HA ' HD12 ' A' ' 73' ' ' LEU . 33.0 mmt -66.85 -46.21 75.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.55 -48.02 63.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -54.4 -53.66 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 70' ' ' MET . 15.0 mt -50.02 -55.77 13.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -47.83 148.83 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 75' ' ' LYS . 3.6 mptp? -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 m -146.27 162.47 38.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -105.75 -168.06 23.45 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.43 21.03 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.388 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 t -84.21 146.14 27.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.5 t -73.27 131.13 41.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.481 -179.996 . . . . . . . . 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 -0.319 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -64.48 93.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.939 0.399 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -129.45 89.77 2.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.47 68.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 p -148.88 156.93 43.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -132.58 108.59 9.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.03 -176.74 0.37 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.52 -129.28 9.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 t 67.83 47.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mp0 -70.2 129.38 39.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -91.5 105.41 17.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -114.19 86.98 2.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.48 -35.65 77.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.411 HG23 ' HD2' ' A' ' 15' ' ' PRO . 91.5 mt -39.9 132.74 1.46 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.615 0.721 . . . . 0.0 111.135 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.8 Cg_endo -69.75 157.69 59.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.359 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -104.24 -38.18 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -127.17 168.01 15.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 36.2 t -67.74 161.61 25.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -112.48 -32.19 6.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 71.2 mt -64.1 -30.26 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HG2' ' A' ' 23' ' ' GLN . 17.2 p -123.6 -14.82 7.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 65.12 33.59 9.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' HG2' ' SG ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -121.08 176.03 5.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.28 124.7 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.3 m-85 -47.25 112.99 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -112.34 106.26 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 58.55 51.09 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.6 Cg_endo -69.79 146.42 59.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.653 2.235 . . . . 0.0 112.344 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 63' ' ' PHE . 18.8 m -126.18 141.61 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 7.8 p -88.61 130.93 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.8 p -105.32 177.97 4.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -63.09 -28.21 69.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.4 p -78.89 6.47 9.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 62.11 46.75 6.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 55.7 m170 -128.87 161.61 29.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 1.048 ' CE1' HD22 ' A' ' 69' ' ' LEU . 9.9 m-85 -121.53 145.2 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -153.63 140.36 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' SER . 26.7 m -51.23 128.94 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -39.35 -29.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 38' ' ' CYS . 47.1 t -85.81 -46.68 10.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 55.7 m -61.81 -30.15 70.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.16 -53.61 10.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.5 mt -65.78 -43.84 87.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 12.9 pt-20 -57.14 -49.14 76.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 3.9 t60 -67.3 -38.93 85.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -54.42 -41.95 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -53.26 -56.48 16.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.33 -60.04 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 49' ' ' THR . 14.7 t -116.83 116.81 38.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.548 0.69 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 2.68 3.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.643 2.229 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -104.04 178.24 4.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.4 t -74.69 168.01 20.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 34.9 t80 -100.03 -15.16 18.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.686 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.0 mt -107.56 -57.67 4.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.192 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 23.7 p -95.65 -5.38 42.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.464 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 31.9 t70 45.85 50.46 11.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -98.63 157.72 33.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 88.51 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 59.5 p -72.42 -30.1 64.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.169 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 58.7 38.61 92.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.51 37.04 94.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.2 mt -110.27 133.86 54.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 29' ' ' VAL . 92.1 m-85 -156.83 113.35 3.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -97.98 145.78 30.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.77 3.16 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.691 2.261 . . . . 0.0 112.364 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -89.61 44.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -55.45 -35.64 65.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 69' ' ' LEU . 13.1 pt-20 -64.79 -43.98 91.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.048 HD22 ' CE1' ' A' ' 36' ' ' TYR . 13.0 tp -54.59 -48.28 72.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.721 ' HA ' HD12 ' A' ' 73' ' ' LEU . 37.8 mmt -61.53 -40.91 96.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -62.58 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -41.2 -47.31 3.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 70' ' ' MET . 5.0 mt -64.83 -52.72 55.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -129.29 134.61 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.29 72.99 3.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.5 p -85.99 146.39 26.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.93 -166.97 11.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 118.95 5.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' SER . 26.6 m -77.02 161.44 28.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' SER . 22.2 t -36.99 137.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.458 179.995 . . . . . . . . 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 . . . . . 0.448 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.3 t -34.94 116.65 0.35 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -93.98 83.42 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.25 -149.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -49.8 137.8 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.55 137.76 14.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.43 -128.47 4.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.58 -167.35 40.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 t -171.2 152.21 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -110.93 144.39 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -89.03 93.62 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -174.2 118.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.8 25.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -96.39 127.21 40.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.622 0.725 . . . . 0.0 111.134 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 155.78 65.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -103.66 -37.05 7.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -126.64 166.79 16.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 41.6 t -67.38 162.28 23.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -111.46 -32.33 6.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' A' ' 41' ' ' CYS . 84.9 mt -63.51 -36.22 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 12.8 p -116.84 -16.13 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 65.97 32.22 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -121.2 172.55 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.06 127.22 25.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.2 m-85 -51.78 111.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -108.13 109.75 21.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.9 m-20 52.72 53.15 11.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.599 0.714 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.7 Cg_endo -69.8 145.19 56.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.348 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 29.6 m -125.42 146.17 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 64' ' ' ASN . 10.8 p -87.57 129.92 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 p -101.29 179.14 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -82.4 17.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? 53.85 42.64 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.638 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.2 m170 -121.68 158.35 28.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.655 ' CD1' HD22 ' A' ' 69' ' ' LEU . 18.9 m-85 -116.55 145.57 43.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.65 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.8 OUTLIER -154.1 140.52 18.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.7 m -50.16 128.52 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -38.98 -32.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 -47.6 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 20' ' ' ILE . 53.4 m -58.77 -44.41 90.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.69 -44.76 96.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.17 -61.77 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -46.69 -52.41 13.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 6.4 t60 -62.44 -43.52 98.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -48.72 -39.49 24.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -59.69 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.82 -58.54 8.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.426 HG21 ' NE2' ' A' ' 45' ' ' HIS . 4.3 t -116.1 117.5 39.1 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.596 0.713 . . . . 0.0 111.109 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.64 2.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.9 mtt180 -116.06 176.99 4.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 10.8 t -69.7 170.3 11.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.596 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 41.6 t80 -102.88 -22.71 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.7 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.7 mt -97.04 -57.27 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 30.7 p -92.9 -13.56 28.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 36.0 m-20 54.69 47.52 22.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -109.67 155.87 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.646 0.736 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 92.68 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.1 p -56.99 -37.0 71.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.57 20.26 51.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.85 22.57 72.13 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.529 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 48.3 mt -104.81 134.23 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.127 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -146.98 105.01 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.481 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 2.4 m-80 -94.43 145.8 30.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.686 0.755 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 115.09 3.93 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.19 38.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -52.01 -40.5 61.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -57.4 -48.42 79.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.661 HD23 ' HE3' ' A' ' 70' ' ' MET . 5.8 tp -48.37 -54.35 14.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.661 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.0 mmt -58.44 -44.1 89.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.89 -40.24 6.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -65.41 -61.4 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 70' ' ' MET . 9.3 mt -46.1 -43.77 15.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -59.41 132.56 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -56.0 103.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -47.5 136.4 9.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.6 -82.78 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 107.51 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.381 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' SER . 30.7 t -94.91 -52.14 4.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' SER . 28.1 t -38.09 -54.2 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.514 179.932 . . . . . . . . 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 -0.271 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -162.77 120.98 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -82.35 -44.67 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.48 -158.58 14.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -126.19 150.64 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -120.32 165.19 15.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.66 -86.99 0.38 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.01 -150.52 21.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -83.48 80.83 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.817 0.341 . . . . 0.0 110.797 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -79.44 93.51 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.7 88.95 2.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -124.32 79.59 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 14' ' ' ILE . 20.5 tp10 -69.52 -38.6 77.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 15' ' ' PRO . 90.2 mt -35.37 137.15 0.42 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.648 0.737 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.9 Cg_endo -69.76 159.98 51.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -110.13 -37.59 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.15 164.29 27.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.529 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 38.2 t -61.68 162.44 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -111.59 -31.91 6.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' CD1' ' HB3' ' A' ' 41' ' ' CYS . 82.4 mt -64.75 -34.08 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.493 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 13.9 p -119.43 -14.8 9.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.7 mmt85 64.25 32.17 12.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.8 mm-40 -120.33 172.92 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.99 131.52 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.529 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.0 m-85 -53.87 109.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -109.1 109.62 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.2 m-20 55.57 51.42 6.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.3 Cg_endo -69.81 147.36 62.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.312 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.724 HG21 ' HB3' ' A' ' 63' ' ' PHE . 29.9 m -129.82 141.82 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.3 p -88.42 133.33 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -108.31 177.86 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -59.98 -31.05 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.2 p -78.73 11.38 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 57.25 41.84 26.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.622 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 52.4 m170 -121.16 160.8 23.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.768 ' CE1' HD22 ' A' ' 69' ' ' LEU . 5.9 m-85 -122.05 143.26 49.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -151.45 144.84 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' SER . 32.8 m -54.34 127.36 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' CYS . 11.8 tt0 -37.22 -32.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' CYS . 16.6 m -81.57 -48.88 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.5 m -57.17 -41.1 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -63.37 -42.71 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.99 -62.14 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.82 -51.0 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.573 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 17.9 t60 -62.89 -44.9 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -48.47 -43.17 34.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -52.02 -59.24 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.17 -56.73 9.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.557 HG21 ' NE2' ' A' ' 45' ' ' HIS . 3.9 t -117.24 116.63 37.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 111.125 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.4 3.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -111.49 179.13 4.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.482 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.3 t -70.73 168.16 17.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 37.8 t80 -99.95 -16.12 18.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 47.2 mt -106.95 -57.87 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.9 p -95.65 -4.79 43.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 2.2 m-20 45.05 50.48 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -101.89 156.81 34.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 89.55 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.587 ' O ' HD12 ' A' ' 62' ' ' ILE . 64.1 p -66.18 -41.45 90.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 76.44 31.95 52.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.9 33.06 84.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.458 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.587 HD12 ' O ' ' A' ' 59' ' ' THR . 47.9 mt -106.25 135.16 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.374 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.724 ' HB3' HG21 ' A' ' 29' ' ' VAL . 62.0 m-85 -157.87 105.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -98.98 145.98 30.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 112.49 3.1 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.29 38.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -48.26 -55.37 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -43.71 -44.08 6.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.768 HD22 ' CE1' ' A' ' 36' ' ' TYR . 4.4 tp -64.81 -34.56 78.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -70.36 -39.39 74.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -44.84 -46.01 10.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -60.87 -62.7 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 38.8 mt -51.95 -58.32 6.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 70' ' ' MET . 5.3 pm0 -147.35 165.96 28.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.4 44.97 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' GLY . 7.6 t -99.82 -50.38 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' SER . . . -36.57 114.66 0.22 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.95 5.39 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.285 . . . . 0.0 112.343 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.2 p -61.83 141.66 57.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -151.91 123.02 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.462 179.973 . . . . . . . . 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 -0.341 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -146.05 157.05 43.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -130.02 153.58 48.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 77.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p -116.1 161.3 19.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -86.71 145.48 26.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.44 104.01 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -122.36 78.59 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 t -69.13 -43.06 75.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 45.48 47.65 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -43.95 127.46 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -115.66 81.31 1.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 5.6 mm-40 -55.69 -38.99 70.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.635 HG21 HD11 ' A' ' 69' ' ' LEU . 92.9 mt -34.91 136.0 0.4 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.6 0.714 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 14' ' ' ILE . 53.1 Cg_endo -69.84 158.11 57.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.322 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -104.54 -34.97 8.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -134.5 162.23 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 51.2 t -61.1 162.0 7.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -112.04 -28.87 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 41' ' ' CYS . 43.4 mt -66.68 -35.34 74.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.184 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 16.6 p -119.37 -11.92 9.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.872 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 61.17 36.44 18.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.9 mm-40 -123.18 172.56 8.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.81 125.73 19.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 2.6 m-85 -48.24 107.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -106.04 108.82 20.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 3.1 m-20 54.36 52.93 9.65 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.626 0.727 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.73 147.13 62.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 19.3 m -128.26 141.21 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.0 p -87.32 131.13 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 p -103.89 178.48 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -66.2 -23.75 66.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 p -85.6 13.46 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 58.22 42.76 21.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 53.4 m170 -124.37 160.03 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.606 ' CD1' HD22 ' A' ' 69' ' ' LEU . 9.1 m-85 -123.41 146.34 48.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.959 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -154.12 146.35 23.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.903 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.6 m -55.61 128.96 37.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -39.74 -32.89 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 t -80.92 -46.26 15.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' HB3' HD13 ' A' ' 20' ' ' ILE . 53.5 m -59.49 -46.17 89.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.46 76.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -65.99 -56.89 9.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -51.69 -53.29 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 16.8 t60 -60.51 -40.63 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -54.81 -40.05 69.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.72 -53.53 56.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.428 HG21 ' NE2' ' A' ' 45' ' ' HIS . 2.9 t -115.51 118.12 39.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.555 0.693 . . . . 0.0 111.153 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.36 2.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.356 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -114.31 171.91 7.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' ASP . 9.7 t -63.33 171.19 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 48.1 t80 -101.12 -25.05 14.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 49.1 mt -98.62 -57.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 31.6 p -89.97 -11.76 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 52' ' ' CYS . 1.4 m-20 51.17 47.37 24.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -103.96 157.51 33.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.701 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.39 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 76.4 p -77.39 -26.48 51.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.69 23.02 64.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.84 36.56 57.64 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.9 mt -112.07 127.15 69.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -148.48 122.12 9.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -105.21 146.47 32.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 116.62 4.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.301 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.62 42.49 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -53.18 -41.96 65.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 69' ' ' LEU . 35.5 mt-10 -58.71 -61.48 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.635 HD11 HG21 ' A' ' 14' ' ' ILE . 9.4 tp -34.68 -51.65 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.632 ' HE3' HD23 ' A' ' 69' ' ' LEU . 39.4 mmt -60.9 -58.31 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -38.61 -45.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -59.18 -55.28 37.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 70' ' ' MET . 16.4 mt -48.33 -55.57 10.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -167.34 157.52 11.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -154.18 141.12 19.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 t -97.52 -47.37 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.23 90.38 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.61 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.323 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.0 m -132.1 109.89 10.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -77.62 130.87 37.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.456 179.973 . . . . . . . . 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 -0.339 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -83.67 89.26 7.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.392 . . . . 0.0 110.867 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 t -148.88 154.33 39.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.06 -173.93 14.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -79.76 83.07 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -129.19 88.56 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.56 47.48 0.76 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.37 112.56 3.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.534 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -131.38 167.95 18.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.5 151.78 51.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -102.96 48.02 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -120.28 79.27 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.7 tp10 -55.21 -36.02 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' GLU . 51.4 mt -33.76 129.2 0.42 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.729 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 157.56 59.89 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -102.56 -37.37 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 22' ' ' ARG . 6.2 ptt85 -131.64 169.85 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 44.0 t -67.59 162.17 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -111.95 -30.65 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 41' ' ' CYS . 48.4 mt -64.42 -38.96 83.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 15.5 p -115.28 -16.75 11.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 17' ' ' ARG . 25.1 mmm-85 66.72 37.36 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.7 mm-40 -126.35 171.43 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.03 131.26 31.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 5.5 m-85 -55.64 110.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -109.6 103.53 12.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 60.27 52.46 3.2 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.605 0.717 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.9 Cg_endo -69.79 144.18 53.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 36' ' ' TYR . 15.3 m -123.13 141.08 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 9.1 p -87.93 137.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.9 p -112.29 178.27 4.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -63.22 -30.08 71.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -79.63 10.98 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 58.07 49.54 11.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.598 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 50.7 m170 -129.6 160.0 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.572 ' CD1' HD22 ' A' ' 69' ' ' LEU . 7.7 m-85 -122.3 146.72 47.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.598 ' CZ ' ' HB3' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -153.88 144.09 22.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.2 m -53.74 128.24 28.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -38.85 -32.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.2 t -81.41 -46.24 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' HB3' HD13 ' A' ' 20' ' ' ILE . 52.4 m -59.89 -46.26 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.634 ' HB1' ' CE1' ' A' ' 63' ' ' PHE . . . -57.93 -48.81 78.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.8 mt -68.26 -60.36 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.51 -55.35 16.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.539 ' CD2' ' HB2' ' A' ' 53' ' ' TYR . 41.0 t60 -60.32 -38.11 82.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -55.67 -42.53 75.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -54.85 -57.93 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.85 94.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 49' ' ' THR . 5.5 t -130.87 116.89 17.1 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.144 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.96 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -115.64 165.09 13.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 11.9 t -58.69 168.87 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' HB2' ' CD2' ' A' ' 45' ' ' HIS . 13.1 t80 -100.18 -17.39 17.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.681 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 64.7 mt -105.93 -58.24 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' HG3' ' A' ' 57' ' ' GLN . 29.5 p -94.38 -6.11 44.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 19.8 m-20 48.04 46.2 19.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HG3' ' SG ' ' A' ' 55' ' ' CYS . 5.8 mt-30 -87.72 156.73 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.577 0.703 . . . . 0.0 110.895 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.07 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.4 p -74.26 -42.17 60.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 57.21 34.03 66.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.75 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 93.0 mt -110.62 132.75 58.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CE1' ' HB1' ' A' ' 42' ' ' ALA . 88.7 m-85 -156.8 121.16 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -103.69 145.77 31.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 117.9 5.36 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -95.82 41.66 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -51.23 -43.05 61.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.13 -60.45 3.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD22 ' CD1' ' A' ' 36' ' ' TYR . 13.0 tp -37.82 -55.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.591 ' HA ' HD12 ' A' ' 73' ' ' LEU . 35.9 mmt -59.66 -48.85 80.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.42 -39.99 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -65.7 -48.95 70.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 70' ' ' MET . 7.6 mt -59.88 -46.77 88.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -80.7 145.86 31.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -87.91 151.41 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.2 t -76.17 84.31 3.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -144.54 145.64 15.31 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.52 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 90.56 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.3 m -57.61 90.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 m -160.01 122.96 3.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.453 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -96.09 174.27 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -120.27 127.55 52.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.85 139.72 21.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.9 p -117.47 101.59 8.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t -112.69 80.74 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.94 53.13 0.38 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -165.12 44.26 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 t -83.1 90.14 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -72.92 136.9 45.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.853 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -122.44 46.99 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -100.85 80.7 2.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.4 mt-10 -55.56 -37.06 67.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' GLU . 52.0 mt -37.42 129.21 0.85 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.642 0.734 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 156.67 62.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -103.6 -38.32 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -129.88 160.86 32.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 25' ' ' PHE . 45.5 t -60.13 161.14 7.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.671 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 0.6 OUTLIER -111.59 -29.66 7.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.586 HG12 ' CD2' ' A' ' 53' ' ' TYR . 58.5 mt -66.34 -33.65 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.497 ' O ' ' NE2' ' A' ' 23' ' ' GLN . 11.6 p -119.87 -14.64 8.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 64.81 29.0 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 21' ' ' CYS . 2.6 mm-40 -117.85 168.8 10.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.91 130.77 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 18' ' ' CYS . 3.1 m-85 -52.93 112.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -109.89 105.67 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 1.8 m-20 55.93 53.11 7.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.629 0.728 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 27' ' ' ASN . 53.8 Cg_endo -69.82 143.63 51.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -122.66 141.12 44.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 66' ' ' ALA . 8.6 p -88.23 129.75 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.5 p -104.33 177.95 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -63.07 -28.24 69.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.1 p -79.84 10.97 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 58.42 43.16 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 51.6 m170 -124.5 162.99 22.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.66 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 8.6 m-85 -124.48 146.61 48.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.66 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -154.86 143.29 20.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.57 129.5 29.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -40.2 -33.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.8 m -80.57 -47.97 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 54.8 m -57.75 -47.85 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.15 73.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.29 -56.83 13.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -50.34 -55.24 16.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -56.54 -38.95 72.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -60.38 -36.87 79.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -48.35 -55.79 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.62 -63.27 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 49' ' ' THR . 13.2 t -111.21 117.14 50.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.698 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.15 3.77 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -100.13 178.41 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.45 ' HB3' ' N ' ' A' ' 56' ' ' ASP . 10.9 t -73.42 169.36 17.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CD2' HG12 ' A' ' 20' ' ' ILE . 25.4 t80 -100.97 -18.27 16.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.671 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 43.7 mt -104.21 -56.21 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.56 -7.82 36.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 52' ' ' CYS . 16.5 t70 46.43 51.19 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -98.99 157.33 34.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.626 0.726 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 83.39 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.718 2.279 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 62' ' ' ILE . 44.5 p -66.81 -38.27 86.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.15 35.96 71.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.52 36.05 92.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 59' ' ' THR . 68.2 mt -109.57 134.04 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -154.16 117.85 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -101.62 146.08 31.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 109.9 2.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' HB2' ' HB ' ' A' ' 30' ' ' VAL . . . -87.4 40.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -48.89 -50.45 34.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 31.1 mp0 -48.36 -57.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 ' HE3' ' A' ' 70' ' ' MET . 9.2 tp -41.09 -55.76 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.662 ' HE3' HD23 ' A' ' 69' ' ' LEU . 35.9 mmt -56.08 -41.53 75.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 68' ' ' GLU . . . -52.49 -47.81 66.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.07 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -54.55 -45.04 73.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.77 -51.74 65.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -161.5 130.98 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 144.72 55.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.1 t -140.41 132.62 28.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.39 -106.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -10.36 28.37 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.0 t -57.24 -62.52 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.9 m -100.65 153.54 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.469 -179.951 . . . . . . . . 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_